CaGeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form corner-sharing GeO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Ge(1) atom. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OCa3Ge tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(2) atom to form a mixture of distorted corner and edge-sharing OCa3Ge tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent Ge(1) atoms.
CaGeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.68 Å. Both Ca(1)-O(2) bond lengths are 2.33 Å. Both Ca(1)-O(3) bond lengths are 2.67 Å. Both Ca(1)-O(4) bond lengths are 2.62 Å. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ca(2)-O(3) bond length is 2.64 Å. The Ca(2)-O(5) bond length is 2.65 Å. There is one shorter (2.30 Å) and one longer (2.63 Å) Ca(2)-O(1) bond length. There is one shorter (2.65 Å) and one longer (2.66 Å) Ca(2)-O(2) bond length. There is one shorter (2.31 Å) and one longer (2.64 Å) Ca(2)-O(4) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing GeO4 tetrahedra. The Ge(1)-O(1) bond length is 1.72 Å. The Ge(1)-O(2) bond length is 1.74 Å. The Ge(1)-O(3) bond length is 1.82 Å. The Ge(1)-O(5) bond length is 1.82 Å. In the second Ge site, Ge(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form corner-sharing GeO4 tetrahedra. Both Ge(2)-O(3) bond lengths are 1.82 Å. Both Ge(2)-O(4) bond lengths are 1.72 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Ge(1) atom. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OCa3Ge tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(2) atom to form a mixture of distorted corner and edge-sharing OCa3Ge tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent Ge(1) atoms.