Li4TiFe2Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(17), one O(18), one O(19), and one O(24) atom. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form TiO6 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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), 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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the second P site, P(2) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-51°. In the fourth P site, P(4) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-53°. In the fifth P site, P(5) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-54°. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Ni(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ti(1), one Fe(1), and one P(1) atom to form distorted OLiTiFeP trigonal pyramids that share  an edgeedge with one O(15)Li2FeNiP square pyramid and  an edgeedge with one O(18)LiTiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Ni(1), and one P(6) atom. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Fe(2), one Ni(3), and one P(1) atom to form distorted OLi2FeNiP square pyramids that share  an edgeedge with one O(11)LiTiFeP trigonal pyramid and  a faceface with one O(19)Li2FeNiP square pyramid. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Ni(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Ti(1), one Fe(1), and one P(2) atom to form distorted OLiTiFeP trigonal pyramids that share  a cornercorner with one O(19)Li2FeNiP square pyramid and  an edgeedge with one O(11)LiTiFeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Fe(2), one Ni(3), and one P(3) atom to form distorted OLi2FeNiP square pyramids that share  a cornercorner with one O(18)LiTiFeP trigonal pyramid and  a faceface with one O(15)Li2FeNiP square pyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(1), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Ni(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Ni(3), and one P(4) atom.
Li4TiFe2Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. The Li(1)-O(10) bond length is 2.15 Å. The Li(1)-O(14) bond length is 2.14 Å. The Li(1)-O(20) bond length is 2.09 Å. The Li(1)-O(3) bond length is 2.60 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(8) bond length is 2.21 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(15), one O(17), and one O(21) atom. The Li(2)-O(11) bond length is 2.11 Å. The Li(2)-O(15) bond length is 2.18 Å. The Li(2)-O(17) bond length is 2.14 Å. The Li(2)-O(21) bond length is 1.94 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(22), and one O(23) atom. The Li(3)-O(15) bond length is 2.19 Å. The Li(3)-O(19) bond length is 2.18 Å. The Li(3)-O(22) bond length is 2.14 Å. The Li(3)-O(23) bond length is 1.95 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(17), one O(18), one O(19), and one O(24) atom. The Li(4)-O(17) bond length is 2.23 Å. The Li(4)-O(18) bond length is 2.12 Å. The Li(4)-O(19) bond length is 2.16 Å. The Li(4)-O(24) bond length is 1.96 Å. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form TiO6 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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Ti(1)-O(11) bond length is 2.10 Å. The Ti(1)-O(13) bond length is 1.85 Å. The Ti(1)-O(16) bond length is 1.86 Å. The Ti(1)-O(18) bond length is 2.12 Å. The Ti(1)-O(22) bond length is 2.11 Å. The Ti(1)-O(5) bond length is 1.88 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. The Fe(1)-O(11) bond length is 2.24 Å. The Fe(1)-O(14) bond length is 2.16 Å. The Fe(1)-O(18) bond length is 2.31 Å. The Fe(1)-O(22) bond length is 2.38 Å. The Fe(1)-O(3) bond length is 2.20 Å. The Fe(1)-O(7) bond length is 2.13 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The Fe(2)-O(10) bond length is 2.21 Å. The Fe(2)-O(15) bond length is 2.24 Å. The Fe(2)-O(17) bond length is 2.28 Å. The Fe(2)-O(19) bond length is 2.23 Å. The Fe(2)-O(6) bond length is 2.07 Å. The Fe(2)-O(8) bond length is 2.21 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), 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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Ni(1)-O(12) bond length is 1.99 Å. The Ni(1)-O(14) bond length is 2.10 Å. The Ni(1)-O(20) bond length is 2.06 Å. The Ni(1)-O(3) bond length is 2.12 Å. The Ni(1)-O(7) bond length is 2.10 Å. The Ni(1)-O(9) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The Ni(2)-O(1) bond length is 2.03 Å. The Ni(2)-O(10) bond length is 2.13 Å. The Ni(2)-O(2) bond length is 2.01 Å. The Ni(2)-O(4) bond length is 2.11 Å. The Ni(2)-O(6) bond length is 2.15 Å. The Ni(2)-O(8) bond length is 2.20 Å. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted 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,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The Ni(3)-O(15) bond length is 2.13 Å. The Ni(3)-O(17) bond length is 2.15 Å. The Ni(3)-O(19) bond length is 2.14 Å. The Ni(3)-O(21) bond length is 2.00 Å. The Ni(3)-O(23) bond length is 1.99 Å. The Ni(3)-O(24) bond length is 2.00 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. The P(1)-O(11) bond length is 1.63 Å. The P(1)-O(15) bond length is 1.59 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(9) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-50°. The P(2)-O(12) bond length is 1.50 Å. The P(2)-O(17) bond length is 1.59 Å. The P(2)-O(18) bond length is 1.61 Å. The P(2)-O(4) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-51°. The P(3)-O(1) bond length is 1.51 Å. The P(3)-O(19) bond length is 1.59 Å. The P(3)-O(20) bond length is 1.52 Å. The P(3)-O(22) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-53°. The P(4)-O(24) bond length is 1.53 Å. The P(4)-O(3) bond length is 1.54 Å. The P(4)-O(5) bond length is 1.59 Å. The P(4)-O(6) bond length is 1.54 Å. In the fifth P site, P(5) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-54°. The P(5)-O(13) bond length is 1.58 Å. The P(5)-O(21) bond length is 1.53 Å. The P(5)-O(7) bond length is 1.53 Å. The P(5)-O(8) bond length is 1.55 Å. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-55°. The P(6)-O(10) bond length is 1.55 Å. The P(6)-O(14) bond length is 1.55 Å. The P(6)-O(16) bond length is 1.57 Å. The P(6)-O(23) bond length is 1.52 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Ni(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ti(1), one Fe(1), and one P(1) atom to form distorted OLiTiFeP trigonal pyramids that share  an edgeedge with one O(15)Li2FeNiP square pyramid and  an edgeedge with one O(18)LiTiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Ni(1), and one P(6) atom. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Fe(2), one Ni(3), and one P(1) atom to form distorted OLi2FeNiP square pyramids that share  an edgeedge with one O(11)LiTiFeP trigonal pyramid and  a faceface with one O(19)Li2FeNiP square pyramid. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Ni(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Ti(1), one Fe(1), and one P(2) atom to form distorted OLiTiFeP trigonal pyramids that share  a cornercorner with one O(19)Li2FeNiP square pyramid and  an edgeedge with one O(11)LiTiFeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Fe(2), one Ni(3), and one P(3) atom to form distorted OLi2FeNiP square pyramids that share  a cornercorner with one O(18)LiTiFeP trigonal pyramid and  a faceface with one O(15)Li2FeNiP square pyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(1), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Ni(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Ni(3), and one P(4) atom.