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(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted CrO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. 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 corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-61°. 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  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), 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 T-shaped 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 T-shaped geometry to one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to 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(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted CrO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. The Cr(1)-O(2) bond length is 2.21 Å. The Cr(1)-O(3) bond length is 1.95 Å. The Cr(1)-O(4) bond length is 2.06 Å. The Cr(1)-O(5) bond length is 1.97 Å. There is one shorter (2.07 Å) and one longer (2.11 Å) Cr(1)-O(1) bond length. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. The Cr(2)-O(2) bond length is 2.12 Å. The Cr(2)-O(4) bond length is 2.27 Å. The Cr(2)-O(5) bond length is 2.17 Å. The Cr(2)-O(6) bond length is 1.97 Å. The Cr(2)-O(7) bond length is 1.99 Å. The Cr(2)-O(8) bond length is 1.92 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 corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-61°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.56 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  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. The P(2)-O(5) bond length is 1.62 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.53 Å. The P(2)-O(8) bond length is 1.52 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), 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 T-shaped 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 T-shaped geometry to one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom.