Ca6Cu2Sn7 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to three equivalent Sn(2) and four equivalent Sn(3) atoms. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Sn(2), one Sn(4), and three equivalent Sn(1) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), and three equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), three equivalent Ca(3), one Cu(1), and one Sn(3) atom. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), four equivalent Ca(3), one Sn(2), and one Sn(3) atom. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms.
Ca6Cu2Sn7 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. There is one shorter (3.19 Å) and one longer (3.21 Å) Ca(1)-Cu(1) bond length. There is one shorter (3.30 Å) and one longer (3.49 Å) Ca(1)-Sn(1) bond length. There is one shorter (3.35 Å) and one longer (3.36 Å) Ca(1)-Sn(2) bond length. There is one shorter (3.31 Å) and one longer (3.32 Å) Ca(1)-Sn(3) bond length. There is one shorter (3.40 Å) and one longer (3.41 Å) Ca(1)-Sn(4) bond length. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. There is one shorter (3.15 Å) and one longer (3.16 Å) Ca(2)-Cu(1) bond length. The Ca(2)-Sn(3) bond length is 3.30 Å. Both Ca(2)-Sn(2) bond lengths are 3.27 Å. There is one shorter (3.32 Å) and two longer (3.33 Å) Ca(2)-Sn(1) bond lengths. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to three equivalent Sn(2) and four equivalent Sn(3) atoms. There are a spread of Ca(3)-Sn(2) bond distances ranging from 3.24-3.28 Å. There are a spread of Ca(3)-Sn(3) bond distances ranging from 3.29-3.38 Å. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Sn(2), one Sn(4), and three equivalent Sn(1) atoms. The Cu(1)-Sn(2) bond length is 2.63 Å. The Cu(1)-Sn(4) bond length is 2.69 Å. There are a spread of Cu(1)-Sn(1) bond distances ranging from 2.74-2.79 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), and three equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), three equivalent Ca(3), one Cu(1), and one Sn(3) atom. The Sn(2)-Sn(3) bond length is 2.89 Å. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), four equivalent Ca(3), one Sn(2), and one Sn(3) atom. The Sn(3)-Sn(3) bond length is 2.91 Å. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms.