Ca3(VO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), and six equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(3) and four equivalent O(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(2), three equivalent Ca(1), and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ca(1) and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ca(2), three equivalent Ca(1), and one V(1) atom.
Ca3(VO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), and six equivalent O(1) atoms. The Ca(1)-O(2) bond length is 2.24 Å. There is one shorter (2.39 Å) and two longer (2.84 Å) Ca(1)-O(3) bond lengths. There are a spread of Ca(1)-O(1) bond distances ranging from 2.39-2.90 Å. In the second Ca site, Ca(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(3) and four equivalent O(1) atoms. Both Ca(2)-O(3) bond lengths are 2.48 Å. All Ca(2)-O(1) bond lengths are 2.46 Å. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The V(1)-O(2) bond length is 1.69 Å. The V(1)-O(3) bond length is 1.72 Å. Both V(1)-O(1) bond lengths are 1.72 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(2), three equivalent Ca(1), and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ca(1) and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ca(2), three equivalent Ca(1), and one V(1) atom.