CaCuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(3), three equivalent Cu(1), one Sn(2), two equivalent Sn(1), and three equivalent Sn(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to two equivalent Cu(3), four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to two equivalent Cu(2), four equivalent Cu(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Sn(2), and three equivalent Sn(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(2), one Sn(2), and two equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Cu(3), two equivalent Cu(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Cu(3), and three equivalent Cu(1) atoms.
CaCuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(3), three equivalent Cu(1), one Sn(2), two equivalent Sn(1), and three equivalent Sn(3) atoms. The Ca(1)-Cu(2) bond length is 3.11 Å. Both Ca(1)-Cu(3) bond lengths are 3.11 Å. There is one shorter (3.28 Å) and two longer (3.40 Å) Ca(1)-Cu(1) bond lengths. The Ca(1)-Sn(2) bond length is 3.30 Å. Both Ca(1)-Sn(1) bond lengths are 3.29 Å. There are two shorter (3.17 Å) and one longer (3.26 Å) Ca(1)-Sn(3) bond length. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. The Ca(2)-Cu(3) bond length is 3.28 Å. Both Ca(2)-Cu(2) bond lengths are 3.30 Å. There are two shorter (3.12 Å) and one longer (3.20 Å) Ca(2)-Cu(1) bond length. The Ca(2)-Sn(1) bond length is 3.24 Å. Both Ca(2)-Sn(2) bond lengths are 3.19 Å. All Ca(2)-Sn(3) bond lengths are 3.29 Å. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to two equivalent Cu(3), four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. Both Ca(3)-Cu(3) bond lengths are 3.26 Å. All Ca(3)-Cu(2) bond lengths are 3.22 Å. Both Ca(3)-Sn(1) bond lengths are 3.33 Å. All Ca(3)-Sn(2) bond lengths are 3.32 Å. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to two equivalent Cu(2), four equivalent Cu(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. Both Ca(4)-Cu(2) bond lengths are 3.38 Å. All Ca(4)-Cu(3) bond lengths are 3.39 Å. Both Ca(4)-Sn(2) bond lengths are 3.20 Å. All Ca(4)-Sn(1) bond lengths are 3.19 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Sn(2), and three equivalent Sn(3) atoms. The Cu(1)-Sn(2) bond length is 2.89 Å. There are two shorter (2.66 Å) and one longer (2.71 Å) Cu(1)-Sn(3) bond length. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(2), one Sn(2), and two equivalent Sn(1) atoms. The Cu(2)-Cu(2) bond length is 3.17 Å. The Cu(2)-Sn(2) bond length is 2.65 Å. Both Cu(2)-Sn(1) bond lengths are 2.66 Å. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. The Cu(3)-Sn(1) bond length is 2.73 Å. The Cu(3)-Sn(3) bond length is 2.86 Å. Both Cu(3)-Sn(2) bond lengths are 2.66 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Cu(3), two equivalent Cu(2), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 2.99 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Cu(3), and three equivalent Cu(1) atoms.