MgFe3Ni2Sb(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the third Fe site, Fe(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 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, and  a faceface with one Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) 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,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Sb(1)O6 octahedra. In the second Ni site, Ni(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 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,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Fe(3)O6 octahedra. Sb(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 SbO6 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 Ni(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-38°. In the second P site, P(2) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-36°. In the third P site, P(3) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-37°. In the fourth P site, P(4) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the fifth P site, P(5) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-50°. In the sixth P site, P(6) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) 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(1) 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(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Ni(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Ni(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom.
MgFe3Ni2Sb(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The Mg(1)-O(10) bond length is 2.14 Å. The Mg(1)-O(14) bond length is 2.18 Å. The Mg(1)-O(20) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.25 Å. The Mg(1)-O(4) bond length is 2.03 Å. The Mg(1)-O(8) bond length is 2.24 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom. The Fe(1)-O(12) bond length is 1.98 Å. The Fe(1)-O(14) bond length is 2.21 Å. The Fe(1)-O(20) bond length is 2.21 Å. The Fe(1)-O(3) bond length is 2.34 Å. The Fe(1)-O(7) bond length is 2.25 Å. The Fe(1)-O(9) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. The Fe(2)-O(1) bond length is 1.99 Å. The Fe(2)-O(10) bond length is 2.20 Å. The Fe(2)-O(2) bond length is 2.01 Å. The Fe(2)-O(4) bond length is 2.26 Å. The Fe(2)-O(6) bond length is 2.21 Å. The Fe(2)-O(8) bond length is 2.34 Å. In the third Fe site, Fe(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 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, and  a faceface with one Ni(2)O6 octahedra. The Fe(3)-O(15) bond length is 2.03 Å. The Fe(3)-O(17) bond length is 2.06 Å. The Fe(3)-O(19) bond length is 2.05 Å. The Fe(3)-O(21) bond length is 1.95 Å. The Fe(3)-O(23) bond length is 1.95 Å. The Fe(3)-O(24) bond length is 1.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) 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,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Sb(1)O6 octahedra. The Ni(1)-O(11) bond length is 2.20 Å. The Ni(1)-O(14) bond length is 2.18 Å. The Ni(1)-O(18) bond length is 2.22 Å. The Ni(1)-O(22) bond length is 2.27 Å. The Ni(1)-O(3) bond length is 2.23 Å. The Ni(1)-O(7) bond length is 2.04 Å. In the second Ni site, Ni(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 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,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Fe(3)O6 octahedra. The Ni(2)-O(10) bond length is 2.26 Å. The Ni(2)-O(15) bond length is 2.11 Å. The Ni(2)-O(17) bond length is 2.16 Å. The Ni(2)-O(19) bond length is 2.15 Å. The Ni(2)-O(6) bond length is 2.08 Å. The Ni(2)-O(8) bond length is 2.27 Å. Sb(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 SbO6 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 Ni(1)O6 octahedra. The Sb(1)-O(11) bond length is 2.00 Å. The Sb(1)-O(13) bond length is 1.96 Å. The Sb(1)-O(16) bond length is 1.97 Å. The Sb(1)-O(18) bond length is 2.02 Å. The Sb(1)-O(22) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 1.97 Å. There are six inequivalent P sites. In the first P site, P(1) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-38°. The P(1)-O(24) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(5) bond length is 1.59 Å. The P(1)-O(6) bond length is 1.53 Å. In the second P site, P(2) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-36°. The P(2)-O(13) bond length is 1.58 Å. The P(2)-O(21) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.57 Å. In the third P site, P(3) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-37°. The P(3)-O(10) bond length is 1.57 Å. The P(3)-O(14) bond length is 1.57 Å. The P(3)-O(16) bond length is 1.57 Å. The P(3)-O(23) bond length is 1.50 Å. In the fourth P site, P(4) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. The P(4)-O(11) bond length is 1.64 Å. The P(4)-O(15) bond length is 1.56 Å. The P(4)-O(2) bond length is 1.50 Å. The P(4)-O(9) bond length is 1.50 Å. In the fifth P site, P(5) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-50°. The P(5)-O(12) bond length is 1.50 Å. The P(5)-O(17) bond length is 1.55 Å. The P(5)-O(18) bond length is 1.63 Å. The P(5)-O(4) bond length is 1.54 Å. In the sixth P site, P(6) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-50°. The P(6)-O(1) bond length is 1.50 Å. The P(6)-O(19) bond length is 1.55 Å. The P(6)-O(20) bond length is 1.54 Å. The P(6)-O(22) bond length is 1.62 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) 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(1) 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(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Ni(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Ni(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom.