MgCrPO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms.
MgCrPO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. The Mg(1)-O(3) bond length is 1.95 Å. Both Mg(1)-O(2) bond lengths are 2.12 Å. There are two shorter (2.49 Å) and two longer (2.65 Å) Mg(1)-O(1) bond lengths. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. Both Cr(1)-O(1) bond lengths are 2.04 Å. Both Cr(1)-O(2) bond lengths are 2.06 Å. Both Cr(1)-O(3) bond lengths are 1.92 Å. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Both P(1)-O(1) bond lengths are 1.54 Å. Both P(1)-O(2) bond lengths are 1.57 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms.