Yb3(Sb7Te12)2 crystallizes in the triclinic P1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one Te(17), one Te(18), one Te(19), one Te(2), one Te(23), one Te(8), and one Te(9) atom. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one Te(1), one Te(16), one Te(2), one Te(4), one Te(7), one Te(8), and one Te(9) atom. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one Te(11), one Te(17), one Te(18), one Te(19), one Te(20), one Te(23), one Te(24), and one Te(8) atom. There are fourteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Te(15), one Te(16), one Te(3), one Te(5), and one Te(6) atom. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one Te(1), one Te(19), one Te(2), and one Te(9) atom. In the third Sb site, Sb(3) is bonded to one Te(11), one Te(13), one Te(20), one Te(22), and one Te(24) atom to form distorted SbTe5 square pyramids that share  a cornercorner with one Sb(11)Te6 octahedra,  a cornercorner with one Sb(9)Te6 octahedra, corners with two equivalent Sb(13)Te6 pentagonal pyramids, and  an edgeedge with one Sb(10)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 72-86°. In the fourth Sb site, Sb(4) is bonded to one Te(10), one Te(4), one Te(5), one Te(7), and one Te(9) atom to form edge-sharing SbTe5 trigonal bipyramids. In the fifth Sb site, Sb(5) is bonded to one Te(10), one Te(12), one Te(15), one Te(16), one Te(3), and one Te(7) atom to form SbTe6 octahedra that share corners with two equivalent Sb(11)Te6 octahedra,  an edgeedge with one Sb(9)Te6 octahedra, edges with two equivalent Sb(12)Te6 octahedra, and  an edgeedge with one Sb(4)Te5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-71°. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Te(1), one Te(10), one Te(2), one Te(4), one Te(5), and one Te(7) atom. In the seventh Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Te(1), one Te(18), one Te(23), one Te(4), one Te(8), and one Te(9) atom. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Te(11), one Te(17), one Te(20), one Te(21), one Te(23), and one Te(24) atom. In the ninth Sb site, Sb(9) is bonded to one Te(12), one Te(13), one Te(14), one Te(15), one Te(21), and one Te(6) atom to form distorted SbTe6 octahedra that share corners with two equivalent Sb(11)Te6 octahedra,  a cornercorner with one Sb(3)Te5 square pyramid,  an edgeedge with one Sb(12)Te6 octahedra,  an edgeedge with one Sb(5)Te6 octahedra,  an edgeedge with one Sb(10)Te5 square pyramid, and  a faceface with one Sb(11)Te6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the tenth Sb site, Sb(10) is bonded to one Te(14), one Te(17), one Te(20), one Te(21), and one Te(22) atom to form SbTe5 square pyramids that share corners with two equivalent Sb(11)Te6 octahedra,  a cornercorner with one Sb(13)Te6 pentagonal pyramid,  an edgeedge with one Sb(9)Te6 octahedra, and  an edgeedge with one Sb(3)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 41-73°. In the eleventh Sb site, Sb(11) is bonded to one Te(12), one Te(13), one Te(14), one Te(21), one Te(3), and one Te(6) atom to form distorted SbTe6 octahedra that share corners with two equivalent Sb(5)Te6 octahedra, corners with two equivalent Sb(9)Te6 octahedra,  a cornercorner with one Sb(3)Te5 square pyramid, corners with two equivalent Sb(10)Te5 square pyramids,  a faceface with one Sb(12)Te6 octahedra, and  a faceface with one Sb(9)Te6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. In the twelfth Sb site, Sb(12) is bonded to one Te(12), one Te(16), one Te(3), one Te(5), one Te(6), and one Te(7) atom to form SbTe6 octahedra that share  an edgeedge with one Sb(9)Te6 octahedra, edges with two equivalent Sb(5)Te6 octahedra,  an edgeedge with one Sb(4)Te5 trigonal bipyramid, and  a faceface with one Sb(11)Te6 octahedra. In the thirteenth Sb site, Sb(13) is bonded to one Te(11), one Te(17), one Te(18), one Te(19), one Te(24), and one Te(8) atom to form corner-sharing SbTe6 pentagonal pyramids. In the fourteenth Sb site, Sb(14) is bonded in a 6-coordinate geometry to one Te(11), one Te(13), one Te(14), one Te(17), one Te(22), and one Te(24) atom. There are twenty-four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Sb(2), one Sb(6), and one Sb(7) atom. In the second Te site, Te(2) is bonded to one Yb(1), one Yb(2), one Sb(2), and one Sb(6) atom to form distorted corner-sharing TeYb2Sb2 trigonal pyramids. In the third Te site, Te(3) is bonded to one Sb(1), one Sb(11), one Sb(12), and one Sb(5) atom to form distorted edge-sharing TeSb4 trigonal pyramids. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Yb(2), one Sb(4), one Sb(6), and one Sb(7) atom. In the fifth Te site, Te(5) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(12), one Sb(4), and one Sb(6) atom. In the sixth Te site, Te(6) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(11), one Sb(12), and one Sb(9) atom. In the seventh Te site, Te(7) is bonded to one Yb(2), one Sb(12), one Sb(4), one Sb(5), and one Sb(6) atom to form distorted TeYbSb4 trigonal bipyramids that share corners with two equivalent Te(2)Yb2Sb2 trigonal pyramids and  an edgeedge with one Te(3)Sb4 trigonal pyramid. In the eighth Te site, Te(8) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Sb(13), and one Sb(7) atom. In the ninth Te site, Te(9) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Sb(2), one Sb(4), and one Sb(7) atom. In the tenth Te site, Te(10) is bonded in a distorted T-shaped geometry to one Sb(4), one Sb(5), and one Sb(6) atom. In the eleventh Te site, Te(11) is bonded in a 5-coordinate geometry to one Yb(3), one Sb(13), one Sb(14), one Sb(3), and one Sb(8) atom. In the twelfth Te site, Te(12) is bonded in a distorted rectangular see-saw-like geometry to one Sb(11), one Sb(12), one Sb(5), and one Sb(9) atom. In the thirteenth Te site, Te(13) is bonded in a rectangular see-saw-like geometry to one Sb(11), one Sb(14), one Sb(3), and one Sb(9) atom. In the fourteenth Te site, Te(14) is bonded in a distorted rectangular see-saw-like geometry to one Sb(10), one Sb(11), one Sb(14), and one Sb(9) atom. In the fifteenth Te site, Te(15) is bonded in a distorted T-shaped geometry to one Sb(1), one Sb(5), and one Sb(9) atom. In the sixteenth Te site, Te(16) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Sb(1), one Sb(12), and one Sb(5) atom. In the seventeenth Te site, Te(17) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), one Sb(10), one Sb(13), one Sb(14), and one Sb(8) atom. In the eighteenth Te site, Te(18) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Sb(13), and one Sb(7) atom. In the nineteenth Te site, Te(19) is bonded in a distorted see-saw-like geometry to one Yb(1), one Yb(3), one Sb(13), and one Sb(2) atom. In the twentieth Te site, Te(20) is bonded in a 4-coordinate geometry to one Yb(3), one Sb(10), one Sb(3), and one Sb(8) atom. In the twenty-first Te site, Te(21) is bonded in a 4-coordinate geometry to one Sb(10), one Sb(11), one Sb(8), and one Sb(9) atom. In the twenty-second Te site, Te(22) is bonded in a distorted T-shaped geometry to one Sb(10), one Sb(14), and one Sb(3) atom. In the twenty-third Te site, Te(23) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Sb(7), and one Sb(8) atom. In the twenty-fourth Te site, Te(24) is bonded in a 5-coordinate geometry to one Yb(3), one Sb(13), one Sb(14), one Sb(3), and one Sb(8) atom.
Yb3(Sb7Te12)2 crystallizes in the triclinic P1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one Te(17), one Te(18), one Te(19), one Te(2), one Te(23), one Te(8), and one Te(9) atom. The Yb(1)-Te(17) bond length is 3.73 Å. The Yb(1)-Te(18) bond length is 3.15 Å. The Yb(1)-Te(19) bond length is 3.32 Å. The Yb(1)-Te(2) bond length is 3.29 Å. The Yb(1)-Te(23) bond length is 3.14 Å. The Yb(1)-Te(8) bond length is 3.25 Å. The Yb(1)-Te(9) bond length is 3.41 Å. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one Te(1), one Te(16), one Te(2), one Te(4), one Te(7), one Te(8), and one Te(9) atom. The Yb(2)-Te(1) bond length is 3.80 Å. The Yb(2)-Te(16) bond length is 3.20 Å. The Yb(2)-Te(2) bond length is 3.09 Å. The Yb(2)-Te(4) bond length is 3.10 Å. The Yb(2)-Te(7) bond length is 3.85 Å. The Yb(2)-Te(8) bond length is 3.38 Å. The Yb(2)-Te(9) bond length is 3.15 Å. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one Te(11), one Te(17), one Te(18), one Te(19), one Te(20), one Te(23), one Te(24), and one Te(8) atom. The Yb(3)-Te(11) bond length is 3.58 Å. The Yb(3)-Te(17) bond length is 3.89 Å. The Yb(3)-Te(18) bond length is 3.64 Å. The Yb(3)-Te(19) bond length is 3.20 Å. The Yb(3)-Te(20) bond length is 3.18 Å. The Yb(3)-Te(23) bond length is 3.33 Å. The Yb(3)-Te(24) bond length is 3.22 Å. The Yb(3)-Te(8) bond length is 3.21 Å. There are fourteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Te(15), one Te(16), one Te(3), one Te(5), and one Te(6) atom. The Sb(1)-Te(15) bond length is 2.90 Å. The Sb(1)-Te(16) bond length is 3.15 Å. The Sb(1)-Te(3) bond length is 3.09 Å. The Sb(1)-Te(5) bond length is 2.96 Å. The Sb(1)-Te(6) bond length is 3.38 Å. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one Te(1), one Te(19), one Te(2), and one Te(9) atom. The Sb(2)-Te(1) bond length is 3.09 Å. The Sb(2)-Te(19) bond length is 2.84 Å. The Sb(2)-Te(2) bond length is 2.90 Å. The Sb(2)-Te(9) bond length is 3.12 Å. In the third Sb site, Sb(3) is bonded to one Te(11), one Te(13), one Te(20), one Te(22), and one Te(24) atom to form distorted SbTe5 square pyramids that share  a cornercorner with one Sb(11)Te6 octahedra,  a cornercorner with one Sb(9)Te6 octahedra, corners with two equivalent Sb(13)Te6 pentagonal pyramids, and  an edgeedge with one Sb(10)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 72-86°. The Sb(3)-Te(11) bond length is 3.13 Å. The Sb(3)-Te(13) bond length is 2.95 Å. The Sb(3)-Te(20) bond length is 2.87 Å. The Sb(3)-Te(22) bond length is 3.15 Å. The Sb(3)-Te(24) bond length is 3.31 Å. In the fourth Sb site, Sb(4) is bonded to one Te(10), one Te(4), one Te(5), one Te(7), and one Te(9) atom to form edge-sharing SbTe5 trigonal bipyramids. The Sb(4)-Te(10) bond length is 2.96 Å. The Sb(4)-Te(4) bond length is 3.11 Å. The Sb(4)-Te(5) bond length is 2.91 Å. The Sb(4)-Te(7) bond length is 3.07 Å. The Sb(4)-Te(9) bond length is 3.20 Å. In the fifth Sb site, Sb(5) is bonded to one Te(10), one Te(12), one Te(15), one Te(16), one Te(3), and one Te(7) atom to form SbTe6 octahedra that share corners with two equivalent Sb(11)Te6 octahedra,  an edgeedge with one Sb(9)Te6 octahedra, edges with two equivalent Sb(12)Te6 octahedra, and  an edgeedge with one Sb(4)Te5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-71°. The Sb(5)-Te(10) bond length is 3.05 Å. The Sb(5)-Te(12) bond length is 3.28 Å. The Sb(5)-Te(15) bond length is 3.25 Å. The Sb(5)-Te(16) bond length is 2.95 Å. The Sb(5)-Te(3) bond length is 3.32 Å. The Sb(5)-Te(7) bond length is 3.00 Å. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Te(1), one Te(10), one Te(2), one Te(4), one Te(5), and one Te(7) atom. The Sb(6)-Te(1) bond length is 3.00 Å. The Sb(6)-Te(10) bond length is 3.24 Å. The Sb(6)-Te(2) bond length is 3.02 Å. The Sb(6)-Te(4) bond length is 2.88 Å. The Sb(6)-Te(5) bond length is 3.49 Å. The Sb(6)-Te(7) bond length is 3.26 Å. In the seventh Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Te(1), one Te(18), one Te(23), one Te(4), one Te(8), and one Te(9) atom. The Sb(7)-Te(1) bond length is 3.23 Å. The Sb(7)-Te(18) bond length is 2.86 Å. The Sb(7)-Te(23) bond length is 3.14 Å. The Sb(7)-Te(4) bond length is 3.41 Å. The Sb(7)-Te(8) bond length is 3.14 Å. The Sb(7)-Te(9) bond length is 3.18 Å. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Te(11), one Te(17), one Te(20), one Te(21), one Te(23), and one Te(24) atom. The Sb(8)-Te(11) bond length is 2.96 Å. The Sb(8)-Te(17) bond length is 3.01 Å. The Sb(8)-Te(20) bond length is 3.46 Å. The Sb(8)-Te(21) bond length is 3.32 Å. The Sb(8)-Te(23) bond length is 2.95 Å. The Sb(8)-Te(24) bond length is 3.28 Å. In the ninth Sb site, Sb(9) is bonded to one Te(12), one Te(13), one Te(14), one Te(15), one Te(21), and one Te(6) atom to form distorted SbTe6 octahedra that share corners with two equivalent Sb(11)Te6 octahedra,  a cornercorner with one Sb(3)Te5 square pyramid,  an edgeedge with one Sb(12)Te6 octahedra,  an edgeedge with one Sb(5)Te6 octahedra,  an edgeedge with one Sb(10)Te5 square pyramid, and  a faceface with one Sb(11)Te6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. The Sb(9)-Te(12) bond length is 3.04 Å. The Sb(9)-Te(13) bond length is 2.95 Å. The Sb(9)-Te(14) bond length is 3.29 Å. The Sb(9)-Te(15) bond length is 3.00 Å. The Sb(9)-Te(21) bond length is 3.20 Å. The Sb(9)-Te(6) bond length is 3.46 Å. In the tenth Sb site, Sb(10) is bonded to one Te(14), one Te(17), one Te(20), one Te(21), and one Te(22) atom to form SbTe5 square pyramids that share corners with two equivalent Sb(11)Te6 octahedra,  a cornercorner with one Sb(13)Te6 pentagonal pyramid,  an edgeedge with one Sb(9)Te6 octahedra, and  an edgeedge with one Sb(3)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 41-73°. The Sb(10)-Te(14) bond length is 2.94 Å. The Sb(10)-Te(17) bond length is 3.29 Å. The Sb(10)-Te(20) bond length is 3.09 Å. The Sb(10)-Te(21) bond length is 3.14 Å. The Sb(10)-Te(22) bond length is 2.89 Å. In the eleventh Sb site, Sb(11) is bonded to one Te(12), one Te(13), one Te(14), one Te(21), one Te(3), and one Te(6) atom to form distorted SbTe6 octahedra that share corners with two equivalent Sb(5)Te6 octahedra, corners with two equivalent Sb(9)Te6 octahedra,  a cornercorner with one Sb(3)Te5 square pyramid, corners with two equivalent Sb(10)Te5 square pyramids,  a faceface with one Sb(12)Te6 octahedra, and  a faceface with one Sb(9)Te6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. The Sb(11)-Te(12) bond length is 2.99 Å. The Sb(11)-Te(13) bond length is 3.29 Å. The Sb(11)-Te(14) bond length is 3.43 Å. The Sb(11)-Te(21) bond length is 3.04 Å. The Sb(11)-Te(3) bond length is 3.10 Å. The Sb(11)-Te(6) bond length is 2.94 Å. In the twelfth Sb site, Sb(12) is bonded to one Te(12), one Te(16), one Te(3), one Te(5), one Te(6), and one Te(7) atom to form SbTe6 octahedra that share  an edgeedge with one Sb(9)Te6 octahedra, edges with two equivalent Sb(5)Te6 octahedra,  an edgeedge with one Sb(4)Te5 trigonal bipyramid, and  a faceface with one Sb(11)Te6 octahedra. The Sb(12)-Te(12) bond length is 3.25 Å. The Sb(12)-Te(16) bond length is 3.07 Å. The Sb(12)-Te(3) bond length is 3.08 Å. The Sb(12)-Te(5) bond length is 3.36 Å. The Sb(12)-Te(6) bond length is 2.96 Å. The Sb(12)-Te(7) bond length is 3.06 Å. In the thirteenth Sb site, Sb(13) is bonded to one Te(11), one Te(17), one Te(18), one Te(19), one Te(24), and one Te(8) atom to form corner-sharing SbTe6 pentagonal pyramids. The Sb(13)-Te(11) bond length is 3.21 Å. The Sb(13)-Te(17) bond length is 3.06 Å. The Sb(13)-Te(18) bond length is 3.23 Å. The Sb(13)-Te(19) bond length is 3.10 Å. The Sb(13)-Te(24) bond length is 3.12 Å. The Sb(13)-Te(8) bond length is 3.06 Å. In the fourteenth Sb site, Sb(14) is bonded in a 6-coordinate geometry to one Te(11), one Te(13), one Te(14), one Te(17), one Te(22), and one Te(24) atom. The Sb(14)-Te(11) bond length is 3.35 Å. The Sb(14)-Te(13) bond length is 3.23 Å. The Sb(14)-Te(14) bond length is 2.95 Å. The Sb(14)-Te(17) bond length is 3.48 Å. The Sb(14)-Te(22) bond length is 2.95 Å. The Sb(14)-Te(24) bond length is 3.03 Å. There are twenty-four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Sb(2), one Sb(6), and one Sb(7) atom. In the second Te site, Te(2) is bonded to one Yb(1), one Yb(2), one Sb(2), and one Sb(6) atom to form distorted corner-sharing TeYb2Sb2 trigonal pyramids. In the third Te site, Te(3) is bonded to one Sb(1), one Sb(11), one Sb(12), and one Sb(5) atom to form distorted edge-sharing TeSb4 trigonal pyramids. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Yb(2), one Sb(4), one Sb(6), and one Sb(7) atom. In the fifth Te site, Te(5) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(12), one Sb(4), and one Sb(6) atom. In the sixth Te site, Te(6) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(11), one Sb(12), and one Sb(9) atom. In the seventh Te site, Te(7) is bonded to one Yb(2), one Sb(12), one Sb(4), one Sb(5), and one Sb(6) atom to form distorted TeYbSb4 trigonal bipyramids that share corners with two equivalent Te(2)Yb2Sb2 trigonal pyramids and  an edgeedge with one Te(3)Sb4 trigonal pyramid. In the eighth Te site, Te(8) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Sb(13), and one Sb(7) atom. In the ninth Te site, Te(9) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Sb(2), one Sb(4), and one Sb(7) atom. In the tenth Te site, Te(10) is bonded in a distorted T-shaped geometry to one Sb(4), one Sb(5), and one Sb(6) atom. In the eleventh Te site, Te(11) is bonded in a 5-coordinate geometry to one Yb(3), one Sb(13), one Sb(14), one Sb(3), and one Sb(8) atom. In the twelfth Te site, Te(12) is bonded in a distorted rectangular see-saw-like geometry to one Sb(11), one Sb(12), one Sb(5), and one Sb(9) atom. In the thirteenth Te site, Te(13) is bonded in a rectangular see-saw-like geometry to one Sb(11), one Sb(14), one Sb(3), and one Sb(9) atom. In the fourteenth Te site, Te(14) is bonded in a distorted rectangular see-saw-like geometry to one Sb(10), one Sb(11), one Sb(14), and one Sb(9) atom. In the fifteenth Te site, Te(15) is bonded in a distorted T-shaped geometry to one Sb(1), one Sb(5), and one Sb(9) atom. In the sixteenth Te site, Te(16) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Sb(1), one Sb(12), and one Sb(5) atom. In the seventeenth Te site, Te(17) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), one Sb(10), one Sb(13), one Sb(14), and one Sb(8) atom. In the eighteenth Te site, Te(18) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Sb(13), and one Sb(7) atom. In the nineteenth Te site, Te(19) is bonded in a distorted see-saw-like geometry to one Yb(1), one Yb(3), one Sb(13), and one Sb(2) atom. In the twentieth Te site, Te(20) is bonded in a 4-coordinate geometry to one Yb(3), one Sb(10), one Sb(3), and one Sb(8) atom. In the twenty-first Te site, Te(21) is bonded in a 4-coordinate geometry to one Sb(10), one Sb(11), one Sb(8), and one Sb(9) atom. In the twenty-second Te site, Te(22) is bonded in a distorted T-shaped geometry to one Sb(10), one Sb(14), and one Sb(3) atom. In the twenty-third Te site, Te(23) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Sb(7), and one Sb(8) atom. In the twenty-fourth Te site, Te(24) is bonded in a 5-coordinate geometry to one Yb(3), one Sb(13), one Sb(14), one Sb(3), and one Sb(8) atom.