MgVCr2Fe3(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) 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. V(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted VO6 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(21), one O(4), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. 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(20), one O(22), one O(23), one O(24), and one O(9) atom. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) 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, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) 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. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 V(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 25-48°. In the second P site, P(2) is bonded to one O(1), one O(13), 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 V(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 26-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 27-51°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 12-47°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 12-49°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 14-47°. 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(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(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(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(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(2), 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 bent 150 degrees geometry to one V(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 V(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 distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(5) atom.
MgVCr2Fe3(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) 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(10) bond length is 2.08 Å. The Mg(1)-O(22) bond length is 2.27 Å. The Mg(1)-O(23) bond length is 2.14 Å. The Mg(1)-O(24) bond length is 2.14 Å. The Mg(1)-O(6) bond length is 1.99 Å. The Mg(1)-O(8) bond length is 2.06 Å. V(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted VO6 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 V(1)-O(11) bond length is 2.13 Å. The V(1)-O(13) bond length is 1.89 Å. The V(1)-O(16) bond length is 1.88 Å. The V(1)-O(18) bond length is 1.98 Å. The V(1)-O(21) bond length is 2.07 Å. The V(1)-O(5) bond length is 1.87 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(21), one O(4), and one O(7) atom. The Cr(1)-O(11) bond length is 2.17 Å. The Cr(1)-O(14) bond length is 2.19 Å. The Cr(1)-O(18) bond length is 2.41 Å. The Cr(1)-O(21) bond length is 2.16 Å. The Cr(1)-O(4) bond length is 2.20 Å. The Cr(1)-O(7) bond length is 2.53 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. The Cr(2)-O(10) bond length is 2.18 Å. The Cr(2)-O(15) bond length is 2.18 Å. The Cr(2)-O(17) bond length is 2.14 Å. The Cr(2)-O(19) bond length is 2.36 Å. The Cr(2)-O(6) bond length is 2.45 Å. The Cr(2)-O(8) bond length is 2.14 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(20), one O(22), one O(23), one O(24), and one O(9) atom. The Fe(1)-O(12) bond length is 2.09 Å. The Fe(1)-O(20) bond length is 2.09 Å. The Fe(1)-O(22) bond length is 2.08 Å. The Fe(1)-O(23) bond length is 2.10 Å. The Fe(1)-O(24) bond length is 2.09 Å. The Fe(1)-O(9) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) 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, and  a cornercorner with one P(6)O4 tetrahedra. The Fe(2)-O(12) bond length is 2.15 Å. The Fe(2)-O(14) bond length is 2.05 Å. The Fe(2)-O(20) bond length is 2.09 Å. The Fe(2)-O(4) bond length is 2.01 Å. The Fe(2)-O(7) bond length is 1.94 Å. The Fe(2)-O(9) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) 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(3)-O(1) bond length is 1.93 Å. The Fe(3)-O(15) bond length is 2.20 Å. The Fe(3)-O(17) bond length is 2.13 Å. The Fe(3)-O(19) bond length is 2.03 Å. The Fe(3)-O(2) bond length is 1.94 Å. The Fe(3)-O(3) bond length is 1.95 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 V(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 25-48°. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(5) bond length is 1.58 Å. The P(1)-O(6) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(1), one O(13), 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 V(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 26-51°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(13) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 27-51°. The P(3)-O(10) bond length is 1.54 Å. The P(3)-O(14) bond length is 1.58 Å. The P(3)-O(16) bond length is 1.56 Å. The P(3)-O(2) bond length is 1.52 Å. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 12-47°. The P(4)-O(11) bond length is 1.56 Å. The P(4)-O(15) bond length is 1.54 Å. The P(4)-O(23) bond length is 1.55 Å. The P(4)-O(9) bond length is 1.57 Å. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 12-49°. The P(5)-O(12) bond length is 1.56 Å. The P(5)-O(17) bond length is 1.54 Å. The P(5)-O(18) bond length is 1.55 Å. The P(5)-O(24) bond length is 1.55 Å. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(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 14-47°. The P(6)-O(19) bond length is 1.53 Å. The P(6)-O(20) bond length is 1.57 Å. The P(6)-O(21) bond length is 1.57 Å. The P(6)-O(22) bond length is 1.55 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(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(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(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(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(2), 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 bent 150 degrees geometry to one V(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 V(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 distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(5) atom.