CrPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the second Cr site, Cr(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-55°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom.
CrPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(2) bond length is 1.96 Å. The Cr(1)-O(3) bond length is 1.93 Å. The Cr(1)-O(4) bond length is 2.11 Å. The Cr(1)-O(7) bond length is 2.13 Å. The Cr(1)-O(8) bond length is 2.13 Å. In the second Cr site, Cr(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. The Cr(2)-O(4) bond length is 1.97 Å. The Cr(2)-O(6) bond length is 1.96 Å. The Cr(2)-O(7) bond length is 2.09 Å. The Cr(2)-O(8) bond length is 2.02 Å. Both Cr(2)-O(5) bond lengths are 2.07 Å. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-55°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. The P(2)-O(5) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.50 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.59 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom.