MgCr2Fe3Ni(PO4)6 crystallizes in the triclinic P1 space group. Mg(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 MgO6 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 Cr sites. In the first Cr site, Cr(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 Cr site, Cr(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 CrO6 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 Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(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 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(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 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 Cr(2)O6 octahedra. 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 Cr(2)O6 octahedra. Ni(1) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(21), one O(23), one O(24), and one O(5) atom. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-53°. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-52°. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees 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 3-coordinate geometry to one Cr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(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 3-coordinate geometry to one Cr(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(1) atom.
MgCr2Fe3Ni(PO4)6 crystallizes in the triclinic P1 space group. Mg(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 MgO6 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 Mg(1)-O(11) bond length is 2.03 Å. The Mg(1)-O(13) bond length is 2.11 Å. The Mg(1)-O(16) bond length is 2.16 Å. The Mg(1)-O(18) bond length is 1.98 Å. The Mg(1)-O(22) bond length is 2.02 Å. The Mg(1)-O(5) bond length is 2.13 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(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 Cr(1)-O(11) bond length is 2.16 Å. The Cr(1)-O(14) bond length is 2.14 Å. The Cr(1)-O(18) bond length is 2.38 Å. The Cr(1)-O(22) bond length is 2.21 Å. The Cr(1)-O(3) bond length is 2.18 Å. The Cr(1)-O(7) bond length is 2.31 Å. In the second Cr site, Cr(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 CrO6 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 Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The Cr(2)-O(10) bond length is 2.08 Å. The Cr(2)-O(15) bond length is 2.14 Å. The Cr(2)-O(17) bond length is 2.11 Å. The Cr(2)-O(19) bond length is 2.17 Å. The Cr(2)-O(6) bond length is 2.11 Å. The Cr(2)-O(8) bond length is 2.07 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(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 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, and  a cornercorner with one P(6)O4 tetrahedra. The Fe(1)-O(12) bond length is 1.92 Å. The Fe(1)-O(14) bond length is 2.14 Å. The Fe(1)-O(20) bond length is 1.94 Å. The Fe(1)-O(3) bond length is 2.14 Å. The Fe(1)-O(7) bond length is 2.06 Å. The Fe(1)-O(9) bond length is 1.94 Å. In the second Fe site, Fe(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 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 Cr(2)O6 octahedra. The Fe(2)-O(1) bond length is 1.93 Å. The Fe(2)-O(10) bond length is 2.23 Å. The Fe(2)-O(2) bond length is 1.92 Å. The Fe(2)-O(4) bond length is 1.91 Å. The Fe(2)-O(6) bond length is 2.12 Å. The Fe(2)-O(8) bond length is 2.17 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 Cr(2)O6 octahedra. The Fe(3)-O(15) bond length is 2.04 Å. The Fe(3)-O(17) bond length is 2.02 Å. The Fe(3)-O(19) bond length is 2.01 Å. The Fe(3)-O(21) bond length is 2.04 Å. The Fe(3)-O(23) bond length is 2.05 Å. The Fe(3)-O(24) bond length is 2.16 Å. Ni(1) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(21), one O(23), one O(24), and one O(5) atom. The Ni(1)-O(13) bond length is 2.00 Å. The Ni(1)-O(16) bond length is 1.99 Å. The Ni(1)-O(21) bond length is 2.16 Å. The Ni(1)-O(23) bond length is 2.16 Å. The Ni(1)-O(24) bond length is 2.07 Å. The Ni(1)-O(5) bond length is 2.01 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. The P(1)-O(24) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.58 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-53°. The P(2)-O(13) bond length is 1.54 Å. The P(2)-O(21) bond length is 1.57 Å. The P(2)-O(7) 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(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-52°. The P(3)-O(10) bond length is 1.57 Å. The P(3)-O(14) bond length is 1.55 Å. The P(3)-O(16) bond length is 1.54 Å. The P(3)-O(23) bond length is 1.57 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. The P(4)-O(11) bond length is 1.55 Å. The P(4)-O(15) bond length is 1.60 Å. The P(4)-O(2) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.52 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. The P(5)-O(12) bond length is 1.52 Å. The P(5)-O(17) bond length is 1.61 Å. The P(5)-O(18) bond length is 1.52 Å. The P(5)-O(4) bond length is 1.53 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 Mg(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. The P(6)-O(1) bond length is 1.53 Å. The P(6)-O(19) bond length is 1.61 Å. The P(6)-O(20) bond length is 1.52 Å. The P(6)-O(22) bond length is 1.54 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 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 3-coordinate geometry to one Cr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(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 3-coordinate geometry to one Cr(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Fe(3), one Ni(1), and one P(1) atom.