CaBePO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BeO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Be(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Be(1) atom.
CaBePO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. The Ca(1)-O(2) bond length is 2.49 Å. The Ca(1)-O(4) bond length is 2.47 Å. There is one shorter (2.42 Å) and one longer (2.43 Å) Ca(1)-O(1) bond length. There is one shorter (2.70 Å) and one longer (2.73 Å) Ca(1)-O(3) bond length. There is one shorter (2.40 Å) and one longer (2.48 Å) Ca(1)-O(5) bond length. Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BeO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. The Be(1)-O(2) bond length is 1.63 Å. The Be(1)-O(3) bond length is 1.65 Å. The Be(1)-O(4) bond length is 1.62 Å. The Be(1)-O(5) bond length is 1.62 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Be(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Be(1) atom.