Th4Cu6Sn7 crystallizes in the tetragonal P4mm space group. There are four inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing ThCu4Sn8 cuboctahedra. In the second Th site, Th(2) is bonded to four equivalent Cu(1), four equivalent Sn(2), and four equivalent Sn(5) atoms to form a mixture of corner and face-sharing ThCu4Sn8 cuboctahedra. In the third Th site, Th(3) is bonded in a 12-coordinate geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the fourth Th site, Th(4) is bonded in a 16-coordinate geometry to four equivalent Cu(2), four equivalent Cu(4), four equivalent Sn(2), and four equivalent Sn(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Th(2), two equivalent Th(3), and two equivalent Sn(5) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Th(1), two equivalent Th(4), two equivalent Sn(3), and two equivalent Sn(4) atoms. In the third Cu site, Cu(3) is bonded in a 8-coordinate geometry to four equivalent Th(3) and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to four equivalent Th(4), one Sn(3), and four equivalent Sn(2) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Th(1), two equivalent Th(3), two equivalent Cu(3), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Th(2), two equivalent Th(4), two equivalent Cu(4), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to four equivalent Th(4), one Cu(4), and four equivalent Cu(2) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent Cu(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to four equivalent Th(2) and four equivalent Cu(1) atoms.
Th4Cu6Sn7 crystallizes in the tetragonal P4mm space group. There are four inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing ThCu4Sn8 cuboctahedra. All Th(1)-Cu(2) bond lengths are 3.20 Å. All Th(1)-Sn(1) bond lengths are 3.40 Å. All Th(1)-Sn(4) bond lengths are 3.22 Å. In the second Th site, Th(2) is bonded to four equivalent Cu(1), four equivalent Sn(2), and four equivalent Sn(5) atoms to form a mixture of corner and face-sharing ThCu4Sn8 cuboctahedra. All Th(2)-Cu(1) bond lengths are 3.20 Å. All Th(2)-Sn(2) bond lengths are 3.38 Å. All Th(2)-Sn(5) bond lengths are 3.23 Å. In the third Th site, Th(3) is bonded in a 12-coordinate geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. All Th(3)-Cu(1) bond lengths are 3.00 Å. All Th(3)-Cu(3) bond lengths are 3.23 Å. All Th(3)-Sn(1) bond lengths are 3.42 Å. In the fourth Th site, Th(4) is bonded in a 16-coordinate geometry to four equivalent Cu(2), four equivalent Cu(4), four equivalent Sn(2), and four equivalent Sn(3) atoms. All Th(4)-Cu(2) bond lengths are 3.35 Å. All Th(4)-Cu(4) bond lengths are 3.40 Å. All Th(4)-Sn(2) bond lengths are 3.59 Å. All Th(4)-Sn(3) bond lengths are 3.33 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Th(2), two equivalent Th(3), and two equivalent Sn(5) atoms. Both Cu(1)-Sn(5) bond lengths are 2.68 Å. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Th(1), two equivalent Th(4), two equivalent Sn(3), and two equivalent Sn(4) atoms. Both Cu(2)-Sn(3) bond lengths are 2.59 Å. Both Cu(2)-Sn(4) bond lengths are 2.70 Å. In the third Cu site, Cu(3) is bonded in a 8-coordinate geometry to four equivalent Th(3) and four equivalent Sn(1) atoms. All Cu(3)-Sn(1) bond lengths are 2.85 Å. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to four equivalent Th(4), one Sn(3), and four equivalent Sn(2) atoms. The Cu(4)-Sn(3) bond length is 2.50 Å. All Cu(4)-Sn(2) bond lengths are 2.67 Å. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Th(1), two equivalent Th(3), two equivalent Cu(3), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.13 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Th(2), two equivalent Th(4), two equivalent Cu(4), and four equivalent Sn(2) atoms. All Sn(2)-Sn(2) bond lengths are 3.13 Å. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to four equivalent Th(4), one Cu(4), and four equivalent Cu(2) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent Cu(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to four equivalent Th(2) and four equivalent Cu(1) atoms.