Cr2PO5 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(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O5 square pyramids. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Cr(2) atoms to form edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), 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 one Cr(1), one Cr(2), and one P(1) atom.
Cr2PO5 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(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. The Cr(1)-O(3) bond length is 2.10 Å. The Cr(1)-O(4) bond length is 2.16 Å. The Cr(1)-O(5) bond length is 2.14 Å. There is one shorter (2.03 Å) and one longer (2.25 Å) Cr(1)-O(2) bond length. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O5 square pyramids. The Cr(2)-O(1) bond length is 2.02 Å. The Cr(2)-O(3) bond length is 2.12 Å. The Cr(2)-O(4) bond length is 2.05 Å. The Cr(2)-O(5) bond length is 2.10 Å. Both Cr(2)-O(2) bond lengths are 1.97 Å. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-57°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Cr(2) atoms to form edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), 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 one Cr(1), one Cr(2), and one P(1) atom.