Ba11(Ta3S13)2 crystallizes in the triclinic P1 space group. There are eleven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one S(1), one S(13), one S(14), one S(16), one S(2), one S(26), one S(5), one S(6), and two equivalent S(3) atoms. In the second Ba site, Ba(2) is bonded to one S(11), one S(12), one S(16), one S(19), one S(20), one S(22), one S(5), one S(6), one S(7), one S(9), and two equivalent S(8) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(2)S12 cuboctahedra, corners with four equivalent Ba(5)S12 cuboctahedra,  a cornercorner with one Ta(4)S6 octahedra, corners with two equivalent Ta(1)S6 octahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra,  a faceface with one Ta(5)S6 octahedra,  a faceface with one Ta(6)S6 octahedra, faces with two equivalent Ta(2)S6 octahedra, and faces with two equivalent Ta(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one S(1), one S(11), one S(12), one S(2), one S(22), one S(26), and one S(3) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one S(1), one S(13), one S(14), one S(17), one S(18), one S(2), one S(25), one S(4), and two equivalent S(15) atoms. In the fifth Ba site, Ba(5) is bonded to one S(10), one S(17), one S(18), one S(19), one S(20), one S(23), one S(24), one S(4), one S(7), one S(9), and two equivalent S(21) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(5)S12 cuboctahedra, corners with four equivalent Ba(2)S12 cuboctahedra,  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Ta(4)S6 octahedra,  a faceface with one Ba(10)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ta(2)S6 octahedra,  a faceface with one Ta(3)S6 octahedra, faces with two equivalent Ta(5)S6 octahedra, and faces with two equivalent Ta(6)S6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(14), one S(15), one S(23), one S(24), and two equivalent S(25) atoms. In the seventh Ba site, Ba(7) is bonded to one S(1), one S(15), one S(17), one S(18), one S(2), one S(21), one S(5), one S(6), one S(7), one S(9), and two equivalent S(4) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(7)S12 cuboctahedra, corners with four equivalent Ba(10)S12 cuboctahedra,  a cornercorner with one Ta(6)S6 octahedra, corners with two equivalent Ta(3)S6 octahedra,  a faceface with one Ba(2)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ta(4)S6 octahedra,  a faceface with one Ta(5)S6 octahedra, faces with two equivalent Ta(1)S6 octahedra, and faces with two equivalent Ta(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the eighth Ba site, Ba(8) is bonded in a 10-coordinate geometry to one S(11), one S(12), one S(21), one S(23), one S(24), one S(25), one S(7), one S(9), and two equivalent S(10) atoms. In the ninth Ba site, Ba(9) is bonded in a 8-coordinate geometry to one S(13), one S(14), one S(22), one S(23), one S(24), one S(25), one S(26), and one S(3) atom. In the tenth Ba site, Ba(10) is bonded to one S(13), one S(14), one S(17), one S(18), one S(19), one S(20), one S(3), one S(5), one S(6), one S(8), and two equivalent S(16) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(10)S12 cuboctahedra, corners with four equivalent Ba(7)S12 cuboctahedra,  a cornercorner with one Ta(3)S6 octahedra, corners with two equivalent Ta(6)S6 octahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra,  a faceface with one Ta(1)S6 octahedra,  a faceface with one Ta(2)S6 octahedra, faces with two equivalent Ta(4)S6 octahedra, and faces with two equivalent Ta(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the eleventh Ba site, Ba(11) is bonded in a 10-coordinate geometry to one S(11), one S(12), one S(19), one S(20), one S(23), one S(24), one S(26), one S(8), and two equivalent S(22) atoms. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(5)S12 cuboctahedra, corners with two equivalent Ba(2)S12 cuboctahedra,  a faceface with one Ba(10)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra, and  a faceface with one Ta(2)S6 octahedra. In the second Ta site, Ta(2) is bonded to one S(4), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form TaS6 octahedra that share  a faceface with one Ba(10)S12 cuboctahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Ta(3)S6 octahedra. In the third Ta site, Ta(3) is bonded to one S(10), one S(11), one S(12), one S(7), one S(8), and one S(9) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(10)S12 cuboctahedra, corners with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra, and  a faceface with one Ta(2)S6 octahedra. In the fourth Ta site, Ta(4) is bonded to one S(13), one S(14), one S(15), one S(16), one S(17), and one S(18) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(2)S12 cuboctahedra, corners with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra, and  a faceface with one Ta(5)S6 octahedra. In the fifth Ta site, Ta(5) is bonded to one S(16), one S(17), one S(18), one S(19), one S(20), and one S(21) atom to form TaS6 octahedra that share  a faceface with one Ba(2)S12 cuboctahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ta(4)S6 octahedra, and  a faceface with one Ta(6)S6 octahedra. In the sixth Ta site, Ta(6) is bonded to one S(19), one S(20), one S(21), one S(22), one S(23), and one S(24) atom to form TaS6 octahedra that share  a cornercorner with one Ba(7)S12 cuboctahedra, corners with two equivalent Ba(10)S12 cuboctahedra,  a faceface with one Ba(2)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra, and  a faceface with one Ta(5)S6 octahedra. There are twenty-six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one Ta(1) atom. In the second S site, S(2) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one Ta(1) atom to form distorted SBa4Ta square pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(17)Ba4Ta2 octahedra,  an edgeedge with one S(5)Ba4Ta2 octahedra,  an edgeedge with one S(15)Ba4Ta square pyramid,  an edgeedge with one S(26)Ba4 trigonal pyramid,  a faceface with one S(4)Ba4Ta2 octahedra, and  a faceface with one S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 17-69°. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Ba(10), one Ba(3), one Ba(9), two equivalent Ba(1), and one Ta(1) atom. In the fourth S site, S(4) is bonded to one Ba(4), one Ba(5), two equivalent Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(4)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid, edges with two equivalent S(15)Ba4Ta square pyramids,  a faceface with one S(17)Ba4Ta2 octahedra,  a faceface with one S(18)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, and  a faceface with one S(2)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the fifth S site, S(5) is bonded to one Ba(1), one Ba(10), one Ba(2), one Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, and faces with two equivalent S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the sixth S site, S(6) is bonded to one Ba(1), one Ba(10), one Ba(2), one Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid,  an edgeedge with one S(7)Ba4Ta2 octahedra,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, faces with two equivalent S(5)Ba4Ta2 octahedra, and  a faceface with one S(2)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the seventh S site, S(7) is bonded to one Ba(2), one Ba(5), one Ba(7), one Ba(8), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(18)Ba4Ta2 octahedra,  an edgeedge with one S(6)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, faces with two equivalent S(9)Ba4Ta2 octahedra,  a faceface with one S(10)Ba4Ta trigonal bipyramid, and  a faceface with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the eighth S site, S(8) is bonded to one Ba(10), one Ba(11), two equivalent Ba(2), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(8)Ba4Ta2 octahedra,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(16)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, and  a faceface with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the ninth S site, S(9) is bonded to one Ba(2), one Ba(5), one Ba(7), one Ba(8), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(17)Ba4Ta2 octahedra,  an edgeedge with one S(5)Ba4Ta2 octahedra,  an edgeedge with one S(11)Ba4Ta trigonal bipyramid,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, faces with two equivalent S(7)Ba4Ta2 octahedra, and  a faceface with one S(10)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-62°. In the tenth S site, S(10) is bonded to one Ba(5), one Ba(6), two equivalent Ba(8), and one Ta(3) atom to form distorted SBa4Ta trigonal bipyramids that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid, corners with two equivalent S(10)Ba4Ta trigonal bipyramids,  an edgeedge with one S(11)Ba4Ta trigonal bipyramid, edges with two equivalent S(25)Ba5 trigonal bipyramids,  a faceface with one S(7)Ba4Ta2 octahedra, and  a faceface with one S(9)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 21-71°. In the eleventh S site, S(11) is bonded to one Ba(11), one Ba(2), one Ba(3), one Ba(8), and one Ta(3) atom to form distorted SBa4Ta trigonal bipyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(10)Ba4Ta trigonal bipyramid,  an edgeedge with one S(26)Ba4 trigonal pyramid,  a faceface with one S(7)Ba4Ta2 octahedra, and  a faceface with one S(8)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 20-70°. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(2), one Ba(3), one Ba(8), and one Ta(3) atom. In the thirteenth S site, S(13) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(10), one Ba(4), one Ba(6), one Ba(9), and one Ta(4) atom. In the fourteenth S site, S(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(10), one Ba(4), one Ba(6), one Ba(9), and one Ta(4) atom. In the fifteenth S site, S(15) is bonded to one Ba(6), one Ba(7), two equivalent Ba(4), and one Ta(4) atom to form distorted SBa4Ta square pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid, corners with two equivalent S(15)Ba4Ta square pyramids,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid, edges with two equivalent S(4)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid, edges with two equivalent S(25)Ba5 trigonal bipyramids,  a faceface with one S(17)Ba4Ta2 octahedra, and  a faceface with one S(18)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. In the sixteenth S site, S(16) is bonded to one Ba(1), one Ba(2), two equivalent Ba(10), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(16)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(8)Ba4Ta2 octahedra,  a faceface with one S(17)Ba4Ta2 octahedra,  a faceface with one S(18)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra, and  a faceface with one S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the seventeenth S site, S(17) is bonded to one Ba(10), one Ba(4), one Ba(5), one Ba(7), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(5)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta2 octahedra, corners with two equivalent S(7)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra, faces with two equivalent S(18)Ba4Ta2 octahedra, and  a faceface with one S(15)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the eighteenth S site, S(18) is bonded to one Ba(10), one Ba(4), one Ba(5), one Ba(7), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(5)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta2 octahedra, corners with two equivalent S(9)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid, corners with two equivalent S(2)Ba4Ta square pyramids,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(7)Ba4Ta2 octahedra,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra, faces with two equivalent S(17)Ba4Ta2 octahedra, and  a faceface with one S(15)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the nineteenth S site, S(19) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(11), one Ba(2), one Ba(5), one Ta(5), and one Ta(6) atom. In the twentieth S site, S(20) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(11), one Ba(2), one Ba(5), one Ta(5), and one Ta(6) atom. In the twenty-first S site, S(21) is bonded in a 6-coordinate geometry to one Ba(7), one Ba(8), two equivalent Ba(5), one Ta(5), and one Ta(6) atom. In the twenty-second S site, S(22) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(9), two equivalent Ba(11), and one Ta(6) atom. In the twenty-third S site, S(23) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(5), one Ba(6), one Ba(8), one Ba(9), and one Ta(6) atom. In the twenty-fourth S site, S(24) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(5), one Ba(6), one Ba(8), one Ba(9), and one Ta(6) atom. In the twenty-fifth S site, S(25) is bonded to one Ba(4), one Ba(8), one Ba(9), and two equivalent Ba(6) atoms to form distorted SBa5 trigonal bipyramids that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid, corners with two equivalent S(25)Ba5 trigonal bipyramids,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(15)Ba4Ta square pyramids, and edges with two equivalent S(10)Ba4Ta trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-47°. In the twenty-sixth S site, S(26) is bonded to one Ba(1), one Ba(11), one Ba(3), and one Ba(9) atom to form SBa4 trigonal pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(2)Ba4Ta square pyramid, and  an edgeedge with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-48°.
Ba11(Ta3S13)2 crystallizes in the triclinic P1 space group. There are eleven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one S(1), one S(13), one S(14), one S(16), one S(2), one S(26), one S(5), one S(6), and two equivalent S(3) atoms. The Ba(1)-S(1) bond length is 3.58 Å. The Ba(1)-S(13) bond length is 3.52 Å. The Ba(1)-S(14) bond length is 3.50 Å. The Ba(1)-S(16) bond length is 3.34 Å. The Ba(1)-S(2) bond length is 3.42 Å. The Ba(1)-S(26) bond length is 3.01 Å. The Ba(1)-S(5) bond length is 3.32 Å. The Ba(1)-S(6) bond length is 3.26 Å. There is one shorter (3.46 Å) and one longer (3.50 Å) Ba(1)-S(3) bond length. In the second Ba site, Ba(2) is bonded to one S(11), one S(12), one S(16), one S(19), one S(20), one S(22), one S(5), one S(6), one S(7), one S(9), and two equivalent S(8) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(2)S12 cuboctahedra, corners with four equivalent Ba(5)S12 cuboctahedra,  a cornercorner with one Ta(4)S6 octahedra, corners with two equivalent Ta(1)S6 octahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra,  a faceface with one Ta(5)S6 octahedra,  a faceface with one Ta(6)S6 octahedra, faces with two equivalent Ta(2)S6 octahedra, and faces with two equivalent Ta(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. The Ba(2)-S(11) bond length is 3.36 Å. The Ba(2)-S(12) bond length is 3.52 Å. The Ba(2)-S(16) bond length is 3.63 Å. The Ba(2)-S(19) bond length is 3.51 Å. The Ba(2)-S(20) bond length is 3.47 Å. The Ba(2)-S(22) bond length is 3.59 Å. The Ba(2)-S(5) bond length is 3.64 Å. The Ba(2)-S(6) bond length is 3.62 Å. The Ba(2)-S(7) bond length is 3.46 Å. The Ba(2)-S(9) bond length is 3.40 Å. There is one shorter (3.42 Å) and one longer (3.50 Å) Ba(2)-S(8) bond length. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one S(1), one S(11), one S(12), one S(2), one S(22), one S(26), and one S(3) atom. The Ba(3)-S(1) bond length is 3.47 Å. The Ba(3)-S(11) bond length is 3.14 Å. The Ba(3)-S(12) bond length is 3.42 Å. The Ba(3)-S(2) bond length is 3.17 Å. The Ba(3)-S(22) bond length is 3.27 Å. The Ba(3)-S(26) bond length is 3.23 Å. The Ba(3)-S(3) bond length is 3.30 Å. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one S(1), one S(13), one S(14), one S(17), one S(18), one S(2), one S(25), one S(4), and two equivalent S(15) atoms. The Ba(4)-S(1) bond length is 3.50 Å. The Ba(4)-S(13) bond length is 3.44 Å. The Ba(4)-S(14) bond length is 3.53 Å. The Ba(4)-S(17) bond length is 3.32 Å. The Ba(4)-S(18) bond length is 3.34 Å. The Ba(4)-S(2) bond length is 3.49 Å. The Ba(4)-S(25) bond length is 3.02 Å. The Ba(4)-S(4) bond length is 3.33 Å. There is one shorter (3.46 Å) and one longer (3.47 Å) Ba(4)-S(15) bond length. In the fifth Ba site, Ba(5) is bonded to one S(10), one S(17), one S(18), one S(19), one S(20), one S(23), one S(24), one S(4), one S(7), one S(9), and two equivalent S(21) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(5)S12 cuboctahedra, corners with four equivalent Ba(2)S12 cuboctahedra,  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Ta(4)S6 octahedra,  a faceface with one Ba(10)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ta(2)S6 octahedra,  a faceface with one Ta(3)S6 octahedra, faces with two equivalent Ta(5)S6 octahedra, and faces with two equivalent Ta(6)S6 octahedra. The corner-sharing octahedral tilt angles are 13°. The Ba(5)-S(10) bond length is 3.33 Å. The Ba(5)-S(17) bond length is 3.59 Å. The Ba(5)-S(18) bond length is 3.58 Å. The Ba(5)-S(19) bond length is 3.51 Å. The Ba(5)-S(20) bond length is 3.49 Å. The Ba(5)-S(23) bond length is 3.56 Å. The Ba(5)-S(24) bond length is 3.43 Å. The Ba(5)-S(4) bond length is 3.62 Å. The Ba(5)-S(7) bond length is 3.49 Å. The Ba(5)-S(9) bond length is 3.52 Å. Both Ba(5)-S(21) bond lengths are 3.46 Å. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(14), one S(15), one S(23), one S(24), and two equivalent S(25) atoms. The Ba(6)-S(10) bond length is 3.14 Å. The Ba(6)-S(13) bond length is 3.59 Å. The Ba(6)-S(14) bond length is 3.38 Å. The Ba(6)-S(15) bond length is 3.19 Å. The Ba(6)-S(23) bond length is 3.32 Å. The Ba(6)-S(24) bond length is 3.47 Å. There is one shorter (3.48 Å) and one longer (3.61 Å) Ba(6)-S(25) bond length. In the seventh Ba site, Ba(7) is bonded to one S(1), one S(15), one S(17), one S(18), one S(2), one S(21), one S(5), one S(6), one S(7), one S(9), and two equivalent S(4) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(7)S12 cuboctahedra, corners with four equivalent Ba(10)S12 cuboctahedra,  a cornercorner with one Ta(6)S6 octahedra, corners with two equivalent Ta(3)S6 octahedra,  a faceface with one Ba(2)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ta(4)S6 octahedra,  a faceface with one Ta(5)S6 octahedra, faces with two equivalent Ta(1)S6 octahedra, and faces with two equivalent Ta(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. The Ba(7)-S(1) bond length is 3.55 Å. The Ba(7)-S(15) bond length is 3.40 Å. The Ba(7)-S(17) bond length is 3.52 Å. The Ba(7)-S(18) bond length is 3.57 Å. The Ba(7)-S(2) bond length is 3.38 Å. The Ba(7)-S(21) bond length is 3.69 Å. The Ba(7)-S(5) bond length is 3.44 Å. The Ba(7)-S(6) bond length is 3.48 Å. The Ba(7)-S(7) bond length is 3.57 Å. The Ba(7)-S(9) bond length is 3.61 Å. Both Ba(7)-S(4) bond lengths are 3.46 Å. In the eighth Ba site, Ba(8) is bonded in a 10-coordinate geometry to one S(11), one S(12), one S(21), one S(23), one S(24), one S(25), one S(7), one S(9), and two equivalent S(10) atoms. The Ba(8)-S(11) bond length is 3.47 Å. The Ba(8)-S(12) bond length is 3.57 Å. The Ba(8)-S(21) bond length is 3.28 Å. The Ba(8)-S(23) bond length is 3.50 Å. The Ba(8)-S(24) bond length is 3.47 Å. The Ba(8)-S(25) bond length is 3.03 Å. The Ba(8)-S(7) bond length is 3.30 Å. The Ba(8)-S(9) bond length is 3.35 Å. There is one shorter (3.44 Å) and one longer (3.49 Å) Ba(8)-S(10) bond length. In the ninth Ba site, Ba(9) is bonded in a 8-coordinate geometry to one S(13), one S(14), one S(22), one S(23), one S(24), one S(25), one S(26), and one S(3) atom. The Ba(9)-S(13) bond length is 3.21 Å. The Ba(9)-S(14) bond length is 3.25 Å. The Ba(9)-S(22) bond length is 3.33 Å. The Ba(9)-S(23) bond length is 3.32 Å. The Ba(9)-S(24) bond length is 3.28 Å. The Ba(9)-S(25) bond length is 3.14 Å. The Ba(9)-S(26) bond length is 3.15 Å. The Ba(9)-S(3) bond length is 3.27 Å. In the tenth Ba site, Ba(10) is bonded to one S(13), one S(14), one S(17), one S(18), one S(19), one S(20), one S(3), one S(5), one S(6), one S(8), and two equivalent S(16) atoms to form BaS12 cuboctahedra that share corners with two equivalent Ba(10)S12 cuboctahedra, corners with four equivalent Ba(7)S12 cuboctahedra,  a cornercorner with one Ta(3)S6 octahedra, corners with two equivalent Ta(6)S6 octahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra,  a faceface with one Ta(1)S6 octahedra,  a faceface with one Ta(2)S6 octahedra, faces with two equivalent Ta(4)S6 octahedra, and faces with two equivalent Ta(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. The Ba(10)-S(13) bond length is 3.42 Å. The Ba(10)-S(14) bond length is 3.57 Å. The Ba(10)-S(17) bond length is 3.49 Å. The Ba(10)-S(18) bond length is 3.50 Å. The Ba(10)-S(19) bond length is 3.63 Å. The Ba(10)-S(20) bond length is 3.67 Å. The Ba(10)-S(3) bond length is 3.55 Å. The Ba(10)-S(5) bond length is 3.44 Å. The Ba(10)-S(6) bond length is 3.42 Å. The Ba(10)-S(8) bond length is 3.62 Å. There is one shorter (3.46 Å) and one longer (3.47 Å) Ba(10)-S(16) bond length. In the eleventh Ba site, Ba(11) is bonded in a 10-coordinate geometry to one S(11), one S(12), one S(19), one S(20), one S(23), one S(24), one S(26), one S(8), and two equivalent S(22) atoms. The Ba(11)-S(11) bond length is 3.49 Å. The Ba(11)-S(12) bond length is 3.56 Å. The Ba(11)-S(19) bond length is 3.29 Å. The Ba(11)-S(20) bond length is 3.28 Å. The Ba(11)-S(23) bond length is 3.48 Å. The Ba(11)-S(24) bond length is 3.45 Å. The Ba(11)-S(26) bond length is 3.01 Å. The Ba(11)-S(8) bond length is 3.34 Å. There is one shorter (3.45 Å) and one longer (3.51 Å) Ba(11)-S(22) bond length. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(5)S12 cuboctahedra, corners with two equivalent Ba(2)S12 cuboctahedra,  a faceface with one Ba(10)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra, and  a faceface with one Ta(2)S6 octahedra. The Ta(1)-S(1) bond length is 2.29 Å. The Ta(1)-S(2) bond length is 2.34 Å. The Ta(1)-S(3) bond length is 2.33 Å. The Ta(1)-S(4) bond length is 2.66 Å. The Ta(1)-S(5) bond length is 2.63 Å. The Ta(1)-S(6) bond length is 2.70 Å. In the second Ta site, Ta(2) is bonded to one S(4), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form TaS6 octahedra that share  a faceface with one Ba(10)S12 cuboctahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra, faces with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Ta(3)S6 octahedra. The Ta(2)-S(4) bond length is 2.44 Å. The Ta(2)-S(5) bond length is 2.46 Å. The Ta(2)-S(6) bond length is 2.49 Å. The Ta(2)-S(7) bond length is 2.39 Å. The Ta(2)-S(8) bond length is 2.47 Å. The Ta(2)-S(9) bond length is 2.44 Å. In the third Ta site, Ta(3) is bonded to one S(10), one S(11), one S(12), one S(7), one S(8), and one S(9) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(10)S12 cuboctahedra, corners with two equivalent Ba(7)S12 cuboctahedra,  a faceface with one Ba(5)S12 cuboctahedra, faces with two equivalent Ba(2)S12 cuboctahedra, and  a faceface with one Ta(2)S6 octahedra. The Ta(3)-S(10) bond length is 2.32 Å. The Ta(3)-S(11) bond length is 2.32 Å. The Ta(3)-S(12) bond length is 2.28 Å. The Ta(3)-S(7) bond length is 2.81 Å. The Ta(3)-S(8) bond length is 2.61 Å. The Ta(3)-S(9) bond length is 2.64 Å. In the fourth Ta site, Ta(4) is bonded to one S(13), one S(14), one S(15), one S(16), one S(17), and one S(18) atom to form distorted TaS6 octahedra that share  a cornercorner with one Ba(2)S12 cuboctahedra, corners with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra, and  a faceface with one Ta(5)S6 octahedra. The Ta(4)-S(13) bond length is 2.31 Å. The Ta(4)-S(14) bond length is 2.30 Å. The Ta(4)-S(15) bond length is 2.32 Å. The Ta(4)-S(16) bond length is 2.65 Å. The Ta(4)-S(17) bond length is 2.70 Å. The Ta(4)-S(18) bond length is 2.63 Å. In the fifth Ta site, Ta(5) is bonded to one S(16), one S(17), one S(18), one S(19), one S(20), and one S(21) atom to form TaS6 octahedra that share  a faceface with one Ba(2)S12 cuboctahedra,  a faceface with one Ba(7)S12 cuboctahedra, faces with two equivalent Ba(10)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra,  a faceface with one Ta(4)S6 octahedra, and  a faceface with one Ta(6)S6 octahedra. The Ta(5)-S(16) bond length is 2.44 Å. The Ta(5)-S(17) bond length is 2.42 Å. The Ta(5)-S(18) bond length is 2.46 Å. The Ta(5)-S(19) bond length is 2.43 Å. The Ta(5)-S(20) bond length is 2.47 Å. The Ta(5)-S(21) bond length is 2.46 Å. In the sixth Ta site, Ta(6) is bonded to one S(19), one S(20), one S(21), one S(22), one S(23), and one S(24) atom to form TaS6 octahedra that share  a cornercorner with one Ba(7)S12 cuboctahedra, corners with two equivalent Ba(10)S12 cuboctahedra,  a faceface with one Ba(2)S12 cuboctahedra, faces with two equivalent Ba(5)S12 cuboctahedra, and  a faceface with one Ta(5)S6 octahedra. The Ta(6)-S(19) bond length is 2.65 Å. The Ta(6)-S(20) bond length is 2.64 Å. The Ta(6)-S(21) bond length is 2.65 Å. The Ta(6)-S(22) bond length is 2.33 Å. The Ta(6)-S(23) bond length is 2.32 Å. The Ta(6)-S(24) bond length is 2.32 Å. There are twenty-six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one Ta(1) atom. In the second S site, S(2) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one Ta(1) atom to form distorted SBa4Ta square pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(17)Ba4Ta2 octahedra,  an edgeedge with one S(5)Ba4Ta2 octahedra,  an edgeedge with one S(15)Ba4Ta square pyramid,  an edgeedge with one S(26)Ba4 trigonal pyramid,  a faceface with one S(4)Ba4Ta2 octahedra, and  a faceface with one S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 17-69°. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Ba(10), one Ba(3), one Ba(9), two equivalent Ba(1), and one Ta(1) atom. In the fourth S site, S(4) is bonded to one Ba(4), one Ba(5), two equivalent Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(4)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid, edges with two equivalent S(15)Ba4Ta square pyramids,  a faceface with one S(17)Ba4Ta2 octahedra,  a faceface with one S(18)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, and  a faceface with one S(2)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the fifth S site, S(5) is bonded to one Ba(1), one Ba(10), one Ba(2), one Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, and faces with two equivalent S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the sixth S site, S(6) is bonded to one Ba(1), one Ba(10), one Ba(2), one Ba(7), one Ta(1), and one Ta(2) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid,  an edgeedge with one S(7)Ba4Ta2 octahedra,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, faces with two equivalent S(5)Ba4Ta2 octahedra, and  a faceface with one S(2)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the seventh S site, S(7) is bonded to one Ba(2), one Ba(5), one Ba(7), one Ba(8), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(17)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(18)Ba4Ta2 octahedra,  an edgeedge with one S(6)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, faces with two equivalent S(9)Ba4Ta2 octahedra,  a faceface with one S(10)Ba4Ta trigonal bipyramid, and  a faceface with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the eighth S site, S(8) is bonded to one Ba(10), one Ba(11), two equivalent Ba(2), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(8)Ba4Ta2 octahedra,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(16)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(7)Ba4Ta2 octahedra,  a faceface with one S(9)Ba4Ta2 octahedra, and  a faceface with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the ninth S site, S(9) is bonded to one Ba(2), one Ba(5), one Ba(7), one Ba(8), one Ta(2), and one Ta(3) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(18)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(17)Ba4Ta2 octahedra,  an edgeedge with one S(5)Ba4Ta2 octahedra,  an edgeedge with one S(11)Ba4Ta trigonal bipyramid,  a faceface with one S(4)Ba4Ta2 octahedra,  a faceface with one S(6)Ba4Ta2 octahedra,  a faceface with one S(8)Ba4Ta2 octahedra, faces with two equivalent S(7)Ba4Ta2 octahedra, and  a faceface with one S(10)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-62°. In the tenth S site, S(10) is bonded to one Ba(5), one Ba(6), two equivalent Ba(8), and one Ta(3) atom to form distorted SBa4Ta trigonal bipyramids that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid, corners with two equivalent S(10)Ba4Ta trigonal bipyramids,  an edgeedge with one S(11)Ba4Ta trigonal bipyramid, edges with two equivalent S(25)Ba5 trigonal bipyramids,  a faceface with one S(7)Ba4Ta2 octahedra, and  a faceface with one S(9)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 21-71°. In the eleventh S site, S(11) is bonded to one Ba(11), one Ba(2), one Ba(3), one Ba(8), and one Ta(3) atom to form distorted SBa4Ta trigonal bipyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(10)Ba4Ta trigonal bipyramid,  an edgeedge with one S(26)Ba4 trigonal pyramid,  a faceface with one S(7)Ba4Ta2 octahedra, and  a faceface with one S(8)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 20-70°. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(2), one Ba(3), one Ba(8), and one Ta(3) atom. In the thirteenth S site, S(13) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(10), one Ba(4), one Ba(6), one Ba(9), and one Ta(4) atom. In the fourteenth S site, S(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(10), one Ba(4), one Ba(6), one Ba(9), and one Ta(4) atom. In the fifteenth S site, S(15) is bonded to one Ba(6), one Ba(7), two equivalent Ba(4), and one Ta(4) atom to form distorted SBa4Ta square pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid, corners with two equivalent S(15)Ba4Ta square pyramids,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid, edges with two equivalent S(4)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid, edges with two equivalent S(25)Ba5 trigonal bipyramids,  a faceface with one S(17)Ba4Ta2 octahedra, and  a faceface with one S(18)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. In the sixteenth S site, S(16) is bonded to one Ba(1), one Ba(2), two equivalent Ba(10), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra, corners with two equivalent S(16)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(8)Ba4Ta2 octahedra,  a faceface with one S(17)Ba4Ta2 octahedra,  a faceface with one S(18)Ba4Ta2 octahedra,  a faceface with one S(5)Ba4Ta2 octahedra, and  a faceface with one S(6)Ba4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the seventeenth S site, S(17) is bonded to one Ba(10), one Ba(4), one Ba(5), one Ba(7), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(5)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta2 octahedra, corners with two equivalent S(7)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(9)Ba4Ta2 octahedra,  an edgeedge with one S(2)Ba4Ta square pyramid,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra, faces with two equivalent S(18)Ba4Ta2 octahedra, and  a faceface with one S(15)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-63°. In the eighteenth S site, S(18) is bonded to one Ba(10), one Ba(4), one Ba(5), one Ba(7), one Ta(4), and one Ta(5) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra, corners with two equivalent S(5)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta2 octahedra, corners with two equivalent S(9)Ba4Ta2 octahedra,  a cornercorner with one S(15)Ba4Ta square pyramid, corners with two equivalent S(2)Ba4Ta square pyramids,  a cornercorner with one S(10)Ba4Ta trigonal bipyramid,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(7)Ba4Ta2 octahedra,  a faceface with one S(16)Ba4Ta2 octahedra,  a faceface with one S(4)Ba4Ta2 octahedra, faces with two equivalent S(17)Ba4Ta2 octahedra, and  a faceface with one S(15)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 2-62°. In the nineteenth S site, S(19) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(11), one Ba(2), one Ba(5), one Ta(5), and one Ta(6) atom. In the twentieth S site, S(20) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(11), one Ba(2), one Ba(5), one Ta(5), and one Ta(6) atom. In the twenty-first S site, S(21) is bonded in a 6-coordinate geometry to one Ba(7), one Ba(8), two equivalent Ba(5), one Ta(5), and one Ta(6) atom. In the twenty-second S site, S(22) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(9), two equivalent Ba(11), and one Ta(6) atom. In the twenty-third S site, S(23) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(5), one Ba(6), one Ba(8), one Ba(9), and one Ta(6) atom. In the twenty-fourth S site, S(24) is bonded in a distorted single-bond geometry to one Ba(11), one Ba(5), one Ba(6), one Ba(8), one Ba(9), and one Ta(6) atom. In the twenty-fifth S site, S(25) is bonded to one Ba(4), one Ba(8), one Ba(9), and two equivalent Ba(6) atoms to form distorted SBa5 trigonal bipyramids that share  a cornercorner with one S(17)Ba4Ta2 octahedra,  a cornercorner with one S(18)Ba4Ta2 octahedra,  a cornercorner with one S(4)Ba4Ta2 octahedra,  a cornercorner with one S(7)Ba4Ta2 octahedra,  a cornercorner with one S(9)Ba4Ta2 octahedra,  a cornercorner with one S(2)Ba4Ta square pyramid,  a cornercorner with one S(11)Ba4Ta trigonal bipyramid, corners with two equivalent S(25)Ba5 trigonal bipyramids,  a cornercorner with one S(26)Ba4 trigonal pyramid, edges with two equivalent S(15)Ba4Ta square pyramids, and edges with two equivalent S(10)Ba4Ta trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-47°. In the twenty-sixth S site, S(26) is bonded to one Ba(1), one Ba(11), one Ba(3), and one Ba(9) atom to form SBa4 trigonal pyramids that share  a cornercorner with one S(16)Ba4Ta2 octahedra,  a cornercorner with one S(5)Ba4Ta2 octahedra,  a cornercorner with one S(6)Ba4Ta2 octahedra,  a cornercorner with one S(8)Ba4Ta2 octahedra,  a cornercorner with one S(25)Ba5 trigonal bipyramid,  an edgeedge with one S(2)Ba4Ta square pyramid, and  an edgeedge with one S(11)Ba4Ta trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-48°.