CsCoPO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), three equivalent O(1), and three equivalent O(2) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 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 Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Cs(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Co(1), and one P(1) atom.
CsCoPO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (3.35 Å) and one longer (3.38 Å) Cs(1)-O(3) bond length. There is one shorter (3.19 Å) and one longer (3.44 Å) Cs(1)-O(4) bond length. There is one shorter (3.05 Å) and two longer (3.67 Å) Cs(1)-O(1) bond lengths. There are a spread of Cs(1)-O(2) bond distances ranging from 3.07-3.64 Å. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(2) bond length is 1.98 Å. The Co(1)-O(3) bond length is 1.96 Å. The Co(1)-O(4) bond length is 1.97 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 Co(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Cs(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Co(1), and one P(1) atom.