KBePO4 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with four 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 four equivalent Be(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent K(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent K(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to three equivalent K(1), one Be(1), and one P(1) atom.
KBePO4 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There is one shorter (2.82 Å) and one longer (3.01 Å) K(1)-O(1) bond length. There are a spread of K(1)-O(2) bond distances ranging from 2.78-3.31 Å. There are a spread of K(1)-O(3) bond distances ranging from 2.78-3.37 Å. There are a spread of K(1)-O(4) bond distances ranging from 2.96-3.34 Å. Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Be(1)-O(1) bond length is 1.63 Å. The Be(1)-O(2) bond length is 1.66 Å. The Be(1)-O(3) bond length is 1.64 Å. The Be(1)-O(4) 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 four 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 1.56 Å. The P(1)-O(4) bond length is 1.53 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent K(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent K(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to three equivalent K(1), one Be(1), and one P(1) atom.