Ni(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third P site, P(3) is bonded to one O(17), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth P site, P(5) is bonded to one O(1), one O(12), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom.
Ni(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The Ni(1)-O(1) bond length is 2.02 Å. The Ni(1)-O(12) bond length is 2.02 Å. The Ni(1)-O(13) bond length is 2.20 Å. The Ni(1)-O(14) bond length is 2.15 Å. The Ni(1)-O(6) bond length is 2.02 Å. The Ni(1)-O(8) bond length is 2.07 Å. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The Ni(2)-O(10) bond length is 2.04 Å. The Ni(2)-O(11) bond length is 2.03 Å. The Ni(2)-O(13) bond length is 2.15 Å. The Ni(2)-O(14) bond length is 2.19 Å. The Ni(2)-O(3) bond length is 2.10 Å. The Ni(2)-O(9) bond length is 2.07 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. The P(1)-O(10) bond length is 1.50 Å. The P(1)-O(15) bond length is 1.60 Å. The P(1)-O(7) bond length is 1.61 Å. The P(1)-O(8) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. The P(2)-O(11) bond length is 1.51 Å. The P(2)-O(16) bond length is 1.60 Å. The P(2)-O(2) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.59 Å. In the third P site, P(3) is bonded to one O(17), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. The P(3)-O(17) bond length is 1.51 Å. The P(3)-O(3) bond length is 1.50 Å. The P(3)-O(4) bond length is 1.60 Å. The P(3)-O(7) bond length is 1.60 Å. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. The P(4)-O(14) bond length is 1.52 Å. The P(4)-O(15) bond length is 1.60 Å. The P(4)-O(5) bond length is 1.61 Å. The P(4)-O(6) bond length is 1.49 Å. In the fifth P site, P(5) is bonded to one O(1), one O(12), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. The P(5)-O(1) bond length is 1.49 Å. The P(5)-O(12) bond length is 1.50 Å. The P(5)-O(18) bond length is 1.62 Å. The P(5)-O(4) bond length is 1.61 Å. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. The P(6)-O(13) bond length is 1.52 Å. The P(6)-O(16) bond length is 1.63 Å. The P(6)-O(18) bond length is 1.60 Å. The P(6)-O(9) bond length is 1.49 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom.