BaNd(SnS3)2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(10), two equivalent S(11), two equivalent S(8), and two equivalent S(9) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(10), two equivalent S(11), two equivalent S(12), and two equivalent S(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(2), two equivalent S(7), and two equivalent S(9) atoms to form distorted SnS5 square pyramids that share corners with two equivalent Sn(4)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Sn(1)S5 square pyramids. In the second Sn site, Sn(2) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Sn(1)S5 square pyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(6), one S(8), and two equivalent S(4) atoms to form corner-sharing SnS5 trigonal bipyramids. In the fourth Sn site, Sn(4) is bonded to one S(11), one S(12), one S(9), and two equivalent S(3) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Nd(1), and two equivalent Sn(2) atoms to form distorted SBa2NdSn2 trigonal bipyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with three equivalent S(2)NdSn3 trigonal pyramids, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids, edges with four equivalent S(5)Ba2Nd2Sn trigonal bipyramids, and  an edgeedge with one S(2)NdSn3 trigonal pyramid. In the second S site, S(2) is bonded to one Nd(1), one Sn(1), and two equivalent Sn(2) atoms to form SNdSn3 trigonal pyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with three equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(1)Ba2NdSn2 trigonal bipyramid, and edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Nd(2), and two equivalent Sn(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(2), and two equivalent Sn(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and one Sn(2) atom to form distorted SBa2Nd2Sn trigonal bipyramids that share corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with three equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(6)Ba2Nd2Sn square pyramids,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, edges with four equivalent S(1)Ba2NdSn2 trigonal bipyramids, and edges with two equivalent S(2)NdSn3 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ba(1), two equivalent Nd(1), and one Sn(3) atom to form SBa2Nd2Sn square pyramids that share  a cornercorner with one S(10)Ba2Nd2Sn square pyramid, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Nd2Sn trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, edges with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, and  a faceface with one S(8)Ba2Nd2Sn square pyramid. In the seventh S site, S(7) is bonded to two equivalent Ba(1), one Sn(2), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Nd2Sn trigonal bipyramids,  an edgeedge with one S(6)Ba2Nd2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(5)Ba2Nd2Sn trigonal bipyramid, edges with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, and edges with two equivalent S(2)NdSn3 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ba(2), two equivalent Nd(1), and one Sn(3) atom to form SBa2Nd2Sn square pyramids that share corners with two equivalent S(10)Ba2Nd2Sn square pyramids, corners with two equivalent S(11)Ba2Nd2Sn square pyramids, corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(11)Ba2Nd2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(8)Ba2Nd2Sn square pyramids,  an edgeedge with one S(5)Ba2Nd2Sn trigonal bipyramid,  a faceface with one S(10)Ba2Nd2Sn square pyramid, and  a faceface with one S(6)Ba2Nd2Sn square pyramid. In the ninth S site, S(9) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(10)Ba2Nd2Sn square pyramids, corners with two equivalent S(11)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(10)Ba2Nd2Sn square pyramid,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(9)Ba2Sn3 square pyramids, and  a faceface with one S(11)Ba2Nd2Sn square pyramid. In the tenth S site, S(10) is bonded to two equivalent Ba(2), two equivalent Nd(2), and one Sn(3) atom to form distorted SBa2Nd2Sn square pyramids that share  a cornercorner with one S(6)Ba2Nd2Sn square pyramid, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(11)Ba2Nd2Sn square pyramids,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(10)Ba2Nd2Sn square pyramids, edges with two equivalent S(11)Ba2Nd2Sn square pyramids, and  a faceface with one S(8)Ba2Nd2Sn square pyramid. In the eleventh S site, S(11) is bonded to two equivalent Ba(2), two equivalent Nd(2), and one Sn(4) atom to form SBa2Nd2Sn square pyramids that share corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(10)Ba2Nd2Sn square pyramids,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid, edges with two equivalent S(10)Ba2Nd2Sn square pyramids, edges with two equivalent S(11)Ba2Nd2Sn square pyramids, and  a faceface with one S(9)Ba2Sn3 square pyramid. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(2) and one Sn(4) atom.
BaNd(SnS3)2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(7) atoms. The Ba(1)-S(4) bond length is 3.71 Å. There is one shorter (3.36 Å) and one longer (3.50 Å) Ba(1)-S(1) bond length. Both Ba(1)-S(5) bond lengths are 3.20 Å. Both Ba(1)-S(6) bond lengths are 3.16 Å. Both Ba(1)-S(7) bond lengths are 3.19 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(10), two equivalent S(11), two equivalent S(8), and two equivalent S(9) atoms. The Ba(2)-S(3) bond length is 3.50 Å. Both Ba(2)-S(10) bond lengths are 3.33 Å. Both Ba(2)-S(11) bond lengths are 3.31 Å. Both Ba(2)-S(8) bond lengths are 3.40 Å. Both Ba(2)-S(9) bond lengths are 3.27 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. The Nd(1)-S(1) bond length is 3.14 Å. The Nd(1)-S(2) bond length is 3.02 Å. Both Nd(1)-S(5) bond lengths are 2.90 Å. Both Nd(1)-S(6) bond lengths are 2.95 Å. Both Nd(1)-S(8) bond lengths are 3.02 Å. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(10), two equivalent S(11), two equivalent S(12), and two equivalent S(3) atoms. The Nd(2)-S(4) bond length is 3.25 Å. Both Nd(2)-S(10) bond lengths are 2.96 Å. Both Nd(2)-S(11) bond lengths are 2.93 Å. Both Nd(2)-S(12) bond lengths are 2.90 Å. There is one shorter (3.22 Å) and one longer (3.68 Å) Nd(2)-S(3) bond length. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(2), two equivalent S(7), and two equivalent S(9) atoms to form distorted SnS5 square pyramids that share corners with two equivalent Sn(4)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Sn(1)S5 square pyramids. The Sn(1)-S(2) bond length is 2.82 Å. Both Sn(1)-S(7) bond lengths are 2.88 Å. Both Sn(1)-S(9) bond lengths are 3.00 Å. In the second Sn site, Sn(2) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Sn(1)S5 square pyramids. The Sn(2)-S(5) bond length is 2.59 Å. The Sn(2)-S(7) bond length is 2.53 Å. Both Sn(2)-S(1) bond lengths are 2.67 Å. Both Sn(2)-S(2) bond lengths are 2.67 Å. In the third Sn site, Sn(3) is bonded to one S(10), one S(6), one S(8), and two equivalent S(4) atoms to form corner-sharing SnS5 trigonal bipyramids. The Sn(3)-S(10) bond length is 2.55 Å. The Sn(3)-S(6) bond length is 2.57 Å. The Sn(3)-S(8) bond length is 2.48 Å. Both Sn(3)-S(4) bond lengths are 2.51 Å. In the fourth Sn site, Sn(4) is bonded to one S(11), one S(12), one S(9), and two equivalent S(3) atoms to form corner-sharing SnS5 trigonal bipyramids. The Sn(4)-S(11) bond length is 2.59 Å. The Sn(4)-S(12) bond length is 2.53 Å. The Sn(4)-S(9) bond length is 2.45 Å. Both Sn(4)-S(3) bond lengths are 2.52 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Nd(1), and two equivalent Sn(2) atoms to form distorted SBa2NdSn2 trigonal bipyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with three equivalent S(2)NdSn3 trigonal pyramids, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids, edges with four equivalent S(5)Ba2Nd2Sn trigonal bipyramids, and  an edgeedge with one S(2)NdSn3 trigonal pyramid. In the second S site, S(2) is bonded to one Nd(1), one Sn(1), and two equivalent Sn(2) atoms to form SNdSn3 trigonal pyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with three equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(1)Ba2NdSn2 trigonal bipyramid, and edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Nd(2), and two equivalent Sn(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(2), and two equivalent Sn(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and one Sn(2) atom to form distorted SBa2Nd2Sn trigonal bipyramids that share corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with three equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(6)Ba2Nd2Sn square pyramids,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, edges with four equivalent S(1)Ba2NdSn2 trigonal bipyramids, and edges with two equivalent S(2)NdSn3 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ba(1), two equivalent Nd(1), and one Sn(3) atom to form SBa2Nd2Sn square pyramids that share  a cornercorner with one S(10)Ba2Nd2Sn square pyramid, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Nd2Sn trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Nd2Sn square pyramids, edges with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, edges with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, and  a faceface with one S(8)Ba2Nd2Sn square pyramid. In the seventh S site, S(7) is bonded to two equivalent Ba(1), one Sn(2), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Nd2Sn trigonal bipyramids,  an edgeedge with one S(6)Ba2Nd2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(5)Ba2Nd2Sn trigonal bipyramid, edges with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, and edges with two equivalent S(2)NdSn3 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ba(2), two equivalent Nd(1), and one Sn(3) atom to form SBa2Nd2Sn square pyramids that share corners with two equivalent S(10)Ba2Nd2Sn square pyramids, corners with two equivalent S(11)Ba2Nd2Sn square pyramids, corners with two equivalent S(6)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(5)Ba2Nd2Sn trigonal bipyramids, corners with two equivalent S(1)Ba2NdSn2 trigonal bipyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(11)Ba2Nd2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(8)Ba2Nd2Sn square pyramids,  an edgeedge with one S(5)Ba2Nd2Sn trigonal bipyramid,  a faceface with one S(10)Ba2Nd2Sn square pyramid, and  a faceface with one S(6)Ba2Nd2Sn square pyramid. In the ninth S site, S(9) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(10)Ba2Nd2Sn square pyramids, corners with two equivalent S(11)Ba2Nd2Sn square pyramids, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(2)NdSn3 trigonal pyramids,  an edgeedge with one S(10)Ba2Nd2Sn square pyramid,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(9)Ba2Sn3 square pyramids, and  a faceface with one S(11)Ba2Nd2Sn square pyramid. In the tenth S site, S(10) is bonded to two equivalent Ba(2), two equivalent Nd(2), and one Sn(3) atom to form distorted SBa2Nd2Sn square pyramids that share  a cornercorner with one S(6)Ba2Nd2Sn square pyramid, corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(11)Ba2Nd2Sn square pyramids,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(10)Ba2Nd2Sn square pyramids, edges with two equivalent S(11)Ba2Nd2Sn square pyramids, and  a faceface with one S(8)Ba2Nd2Sn square pyramid. In the eleventh S site, S(11) is bonded to two equivalent Ba(2), two equivalent Nd(2), and one Sn(4) atom to form SBa2Nd2Sn square pyramids that share corners with two equivalent S(8)Ba2Nd2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(10)Ba2Nd2Sn square pyramids,  an edgeedge with one S(8)Ba2Nd2Sn square pyramid, edges with two equivalent S(10)Ba2Nd2Sn square pyramids, edges with two equivalent S(11)Ba2Nd2Sn square pyramids, and  a faceface with one S(9)Ba2Sn3 square pyramid. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(2) and one Sn(4) atom.