Ba3V2Ni6(PO6)4 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(12), one O(13), one O(17), one O(20), one O(22), one O(4), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4 tetrahedra, edges with two equivalent P(3)O4 tetrahedra,  a faceface with one Ni(3)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Ba site, Ba(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(21), one O(23), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one V(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra, edges with two equivalent V(2)O4 tetrahedra, edges with two equivalent P(1)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the third Ba site, Ba(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(24), one O(3), one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one V(2)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, edges with two equivalent P(4)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(17), one O(20), one O(23), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second V site, V(2) is bonded to one O(18), one O(21), one O(24), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ba(3)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(14), one O(16), one O(20), one O(22), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(17), one O(21), one O(23), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and  a faceface with one Ba(3)O12 cuboctahedra. In the third Ni site, Ni(3) is bonded to one O(12), one O(13), one O(18), one O(19), one O(24), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(13), one O(16), one O(19), one O(24), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ba(3)O12 cuboctahedra. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(14), one O(17), one O(20), one O(22), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(15), one O(18), one O(21), one O(23), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the third P site, P(3) is bonded to one O(12), one O(15), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ba(3)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth P site, P(4) is bonded to one O(16), one O(19), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(2), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(6), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(5), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(6), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(4), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(6), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(1), one Ni(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), one Ni(2), and one Ni(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ba(2), one V(2), one Ni(3), and one Ni(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(3), one Ni(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), one Ni(1), and one Ni(5) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ba(2), one V(2), one Ni(2), and one Ni(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(1), one Ni(5), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ba(2), one V(1), one Ni(2), and one Ni(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ba(3), one V(2), one Ni(3), and one Ni(4) atom.
Ba3V2Ni6(PO6)4 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(12), one O(13), one O(17), one O(20), one O(22), one O(4), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4 tetrahedra, edges with two equivalent P(3)O4 tetrahedra,  a faceface with one Ni(3)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Ba(1)-O(1) bond length is 2.95 Å. The Ba(1)-O(12) bond length is 3.20 Å. The Ba(1)-O(13) bond length is 3.20 Å. The Ba(1)-O(17) bond length is 3.21 Å. The Ba(1)-O(20) bond length is 3.21 Å. The Ba(1)-O(22) bond length is 3.25 Å. The Ba(1)-O(4) bond length is 2.91 Å. The Ba(1)-O(9) bond length is 3.17 Å. Both Ba(1)-O(3) bond lengths are 2.90 Å. There is one shorter (2.91 Å) and one longer (2.92 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(21), one O(23), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one V(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra, edges with two equivalent V(2)O4 tetrahedra, edges with two equivalent P(1)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Ba(2)-O(10) bond length is 3.15 Å. The Ba(2)-O(14) bond length is 3.17 Å. The Ba(2)-O(18) bond length is 3.24 Å. The Ba(2)-O(2) bond length is 2.91 Å. The Ba(2)-O(21) bond length is 3.24 Å. The Ba(2)-O(23) bond length is 3.23 Å. The Ba(2)-O(5) bond length is 2.91 Å. The Ba(2)-O(7) bond length is 3.16 Å. There is one shorter (2.90 Å) and one longer (2.92 Å) Ba(2)-O(1) bond length. Both Ba(2)-O(6) bond lengths are 2.90 Å. In the third Ba site, Ba(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(24), one O(3), one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ba(2)O12 cuboctahedra, edges with two equivalent Ba(3)O12 cuboctahedra,  an edgeedge with one V(2)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, edges with two equivalent P(4)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Ba(3)-O(11) bond length is 3.21 Å. The Ba(3)-O(15) bond length is 3.20 Å. The Ba(3)-O(16) bond length is 3.22 Å. The Ba(3)-O(19) bond length is 3.22 Å. The Ba(3)-O(24) bond length is 3.19 Å. The Ba(3)-O(3) bond length is 2.90 Å. The Ba(3)-O(6) bond length is 2.93 Å. The Ba(3)-O(8) bond length is 3.23 Å. There is one shorter (2.93 Å) and one longer (2.95 Å) Ba(3)-O(2) bond length. There is one shorter (2.91 Å) and one longer (2.92 Å) Ba(3)-O(4) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(17), one O(20), one O(23), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 55-60°. The V(1)-O(17) bond length is 1.76 Å. The V(1)-O(20) bond length is 1.76 Å. The V(1)-O(23) bond length is 1.76 Å. The V(1)-O(5) bond length is 1.70 Å. In the second V site, V(2) is bonded to one O(18), one O(21), one O(24), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ba(3)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 54-58°. The V(2)-O(18) bond length is 1.76 Å. The V(2)-O(21) bond length is 1.76 Å. The V(2)-O(24) bond length is 1.76 Å. The V(2)-O(6) bond length is 1.70 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(14), one O(16), one O(20), one O(22), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The Ni(1)-O(10) bond length is 2.11 Å. The Ni(1)-O(14) bond length is 2.13 Å. The Ni(1)-O(16) bond length is 2.08 Å. The Ni(1)-O(20) bond length is 2.03 Å. The Ni(1)-O(22) bond length is 2.08 Å. The Ni(1)-O(7) bond length is 2.10 Å. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(17), one O(21), one O(23), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The Ni(2)-O(11) bond length is 2.09 Å. The Ni(2)-O(15) bond length is 2.10 Å. The Ni(2)-O(17) bond length is 2.06 Å. The Ni(2)-O(21) bond length is 2.05 Å. The Ni(2)-O(23) bond length is 2.04 Å. The Ni(2)-O(8) bond length is 2.09 Å. In the third Ni site, Ni(3) is bonded to one O(12), one O(13), one O(18), one O(19), one O(24), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The Ni(3)-O(12) bond length is 2.10 Å. The Ni(3)-O(13) bond length is 2.07 Å. The Ni(3)-O(18) bond length is 2.04 Å. The Ni(3)-O(19) bond length is 2.10 Å. The Ni(3)-O(24) bond length is 2.04 Å. The Ni(3)-O(9) bond length is 2.12 Å. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(13), one O(16), one O(19), one O(24), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The Ni(4)-O(12) bond length is 2.12 Å. The Ni(4)-O(13) bond length is 2.10 Å. The Ni(4)-O(16) bond length is 2.10 Å. The Ni(4)-O(19) bond length is 2.10 Å. The Ni(4)-O(24) bond length is 2.03 Å. The Ni(4)-O(7) bond length is 2.08 Å. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(14), one O(17), one O(20), one O(22), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The Ni(5)-O(10) bond length is 2.08 Å. The Ni(5)-O(14) bond length is 2.10 Å. The Ni(5)-O(17) bond length is 2.05 Å. The Ni(5)-O(20) bond length is 2.05 Å. The Ni(5)-O(22) bond length is 2.11 Å. The Ni(5)-O(8) bond length is 2.11 Å. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(15), one O(18), one O(21), one O(23), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ba(2)O12 cuboctahedra. The Ni(6)-O(11) bond length is 2.10 Å. The Ni(6)-O(15) bond length is 2.09 Å. The Ni(6)-O(18) bond length is 2.06 Å. The Ni(6)-O(21) bond length is 2.05 Å. The Ni(6)-O(23) bond length is 2.05 Å. The Ni(6)-O(9) bond length is 2.09 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(10) bond length is 1.58 Å. The P(1)-O(13) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(11), one O(14), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. The P(2)-O(11) bond length is 1.58 Å. The P(2)-O(14) bond length is 1.57 Å. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(8) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(12), one O(15), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ba(3)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. The P(3)-O(12) bond length is 1.57 Å. The P(3)-O(15) bond length is 1.57 Å. The P(3)-O(3) bond length is 1.53 Å. The P(3)-O(9) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(16), one O(19), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-55°. The P(4)-O(16) bond length is 1.57 Å. The P(4)-O(19) bond length is 1.58 Å. The P(4)-O(22) bond length is 1.57 Å. The P(4)-O(4) bond length is 1.53 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(2), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(6), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(5), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(6), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(4), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), one Ni(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(2), one Ni(6), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(1), one Ni(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), one Ni(2), and one Ni(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ba(2), one V(2), one Ni(3), and one Ni(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(3), one Ni(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), one Ni(1), and one Ni(5) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ba(2), one V(2), one Ni(2), and one Ni(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(1), one Ni(5), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ba(2), one V(1), one Ni(2), and one Ni(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ba(3), one V(2), one Ni(3), and one Ni(4) atom.