MgNi(PO3)3 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Ni(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom.
MgNi(PO3)3 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.11 Å. Ni(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Ni(1)-O(1) bond lengths are 2.16 Å. All Ni(1)-O(3) bond lengths are 2.03 Å. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.49 Å. There is one shorter (1.61 Å) and one longer (1.63 Å) P(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom.