CrNi3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ni site, Ni(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ni site, Ni(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom.
CrNi3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Cr(1)-O(1) bond length is 1.95 Å. The Cr(1)-O(9) bond length is 1.95 Å. Both Cr(1)-O(11) bond lengths are 1.99 Å. Both Cr(1)-O(5) bond lengths are 2.04 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Ni(1)-O(12) bond length is 1.99 Å. The Ni(1)-O(4) bond length is 1.97 Å. Both Ni(1)-O(2) bond lengths are 2.02 Å. Both Ni(1)-O(8) bond lengths are 2.12 Å. In the second Ni site, Ni(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Ni(2)-O(3) bond length is 1.98 Å. The Ni(2)-O(7) bond length is 1.98 Å. Both Ni(2)-O(11) bond lengths are 2.20 Å. Both Ni(2)-O(5) bond lengths are 2.06 Å. In the third Ni site, Ni(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Ni(3)-O(10) bond length is 1.98 Å. The Ni(3)-O(6) bond length is 1.98 Å. Both Ni(3)-O(2) bond lengths are 2.13 Å. Both Ni(3)-O(8) bond lengths are 2.02 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(10) bond length is 1.53 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(9) bond length is 1.53 Å. Both P(2)-O(5) bond lengths are 1.59 Å. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(3)-O(4) bond length is 1.53 Å. The P(3)-O(7) bond length is 1.53 Å. Both P(3)-O(8) bond lengths are 1.57 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The P(4)-O(12) bond length is 1.52 Å. The P(4)-O(3) bond length is 1.52 Å. Both P(4)-O(11) bond lengths are 1.59 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom.