CaCuGe crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Ge(2), and three equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(1), two equivalent Cu(3), three equivalent Cu(2), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(1), three equivalent Cu(2), one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Cu(2), one Ge(2), and two equivalent Ge(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Cu(1), and three equivalent Ge(1) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(3), and three equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Cu(3), two equivalent Cu(1), and one Ge(1) atom. In the second Ge site, Ge(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three equivalent Cu(2), and one Ge(3) atom. In the third Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Cu(1), and three equivalent Cu(3) atoms.
CaCuGe crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Ge(2), and three equivalent Ge(3) atoms. There are a spread of Ca(1)-Cu(1) bond distances ranging from 3.04-3.23 Å. There are a spread of Ca(1)-Cu(3) bond distances ranging from 2.95-3.06 Å. There are a spread of Ca(1)-Ge(2) bond distances ranging from 3.00-3.18 Å. There are a spread of Ca(1)-Ge(3) bond distances ranging from 3.16-3.25 Å. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(1), two equivalent Cu(3), three equivalent Cu(2), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. The Ca(2)-Cu(1) bond length is 3.20 Å. There is one shorter (3.23 Å) and one longer (3.27 Å) Ca(2)-Cu(3) bond length. There are a spread of Ca(2)-Cu(2) bond distances ranging from 3.14-3.22 Å. The Ca(2)-Ge(2) bond length is 3.05 Å. There is one shorter (3.00 Å) and one longer (3.04 Å) Ca(2)-Ge(3) bond length. There are a spread of Ca(2)-Ge(1) bond distances ranging from 3.00-3.11 Å. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(1), three equivalent Cu(2), one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. The Ca(3)-Cu(3) bond length is 3.09 Å. There is one shorter (3.06 Å) and one longer (3.11 Å) Ca(3)-Cu(1) bond length. There are two shorter (3.04 Å) and one longer (3.07 Å) Ca(3)-Cu(2) bond length. The Ca(3)-Ge(3) bond length is 3.17 Å. There is one shorter (3.13 Å) and one longer (3.15 Å) Ca(3)-Ge(2) bond length. There are a spread of Ca(3)-Ge(1) bond distances ranging from 3.12-3.27 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Cu(2), one Ge(2), and two equivalent Ge(3) atoms. The Cu(1)-Cu(2) bond length is 2.97 Å. The Cu(1)-Ge(2) bond length is 2.51 Å. There is one shorter (2.51 Å) and one longer (2.54 Å) Cu(1)-Ge(3) bond length. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Cu(1), and three equivalent Ge(1) atoms. There are two shorter (2.52 Å) and one longer (2.61 Å) Cu(2)-Ge(1) bond length. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(3), and three equivalent Ge(2) atoms. The Cu(3)-Ge(3) bond length is 2.66 Å. There are two shorter (2.53 Å) and one longer (2.85 Å) Cu(3)-Ge(2) bond length. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Cu(3), two equivalent Cu(1), and one Ge(1) atom. The Ge(3)-Ge(1) bond length is 2.74 Å. In the second Ge site, Ge(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three equivalent Cu(2), and one Ge(3) atom. In the third Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Cu(1), and three equivalent Cu(3) atoms.