CrPO5 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), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) 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 bent 150 degrees geometry to one Cr(1) 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(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom.
CrPO5 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), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.89 Å. The Cr(1)-O(2) bond length is 1.90 Å. The Cr(1)-O(3) bond length is 1.58 Å. The Cr(1)-O(4) bond length is 1.89 Å. The Cr(1)-O(7) bond length is 1.91 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Cr(2)-O(10) bond length is 1.57 Å. The Cr(2)-O(5) bond length is 1.90 Å. The Cr(2)-O(6) bond length is 1.89 Å. The Cr(2)-O(8) bond length is 1.89 Å. The Cr(2)-O(9) bond length is 1.88 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.56 Å. There are ten 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) 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 bent 150 degrees geometry to one Cr(1) 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(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom.