NiCr(PO4)O crystallizes in the monoclinic C2/c space group. 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, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom.
NiCr(PO4)O crystallizes in the monoclinic C2/c space group. 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, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. Both Cr(1)-O(1) bond lengths are 1.98 Å. Both Cr(1)-O(2) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 1.99 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Both Ni(1)-O(1) bond lengths are 2.05 Å. Both Ni(1)-O(2) bond lengths are 2.05 Å. Both Ni(1)-O(3) bond lengths are 2.06 Å. P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. Both P(1)-O(2) bond lengths are 1.53 Å. Both P(1)-O(3) bond lengths are 1.53 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom.