MgVCr2Fe3(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(21), and one O(5) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one V(1)O6 pentagonal pyramid. V(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(5) atom to form distorted VO6 pentagonal pyramids that share  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. 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 to one O(10), one O(22), one O(23), one O(24), 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, and  a cornercorner with one P(6)O4 tetrahedra. 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 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 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one V(1)O6 pentagonal pyramid. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-48°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 7-49°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-51°. 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 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 28-50°. 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 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 30-51°. 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 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 28-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one V(1), one Fe(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Fe(3), and one P(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(1), 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 3-coordinate geometry to one Mg(1), one V(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(1), 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 Cr(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) 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(1), 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(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Mg(1), 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 distorted bent 150 degrees geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), 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 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(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Fe(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(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to 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(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one V(1)O6 pentagonal pyramid. The Mg(1)-O(11) bond length is 2.02 Å. The Mg(1)-O(13) bond length is 2.19 Å. The Mg(1)-O(16) bond length is 2.09 Å. The Mg(1)-O(18) bond length is 2.03 Å. The Mg(1)-O(21) bond length is 1.96 Å. The Mg(1)-O(5) bond length is 2.46 Å. V(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(5) atom to form distorted VO6 pentagonal pyramids that share  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The V(1)-O(1) bond length is 2.03 Å. The V(1)-O(13) bond length is 2.01 Å. The V(1)-O(16) bond length is 2.04 Å. The V(1)-O(2) bond length is 2.04 Å. The V(1)-O(3) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.00 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 2.16 Å. The Cr(1)-O(14) bond length is 2.16 Å. The Cr(1)-O(18) bond length is 2.17 Å. The Cr(1)-O(21) bond length is 2.59 Å. The Cr(1)-O(4) bond length is 2.39 Å. The Cr(1)-O(7) bond length is 2.13 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 2.38 Å. The Cr(2)-O(15) bond length is 2.69 Å. The Cr(2)-O(17) bond length is 2.20 Å. The Cr(2)-O(19) bond length is 2.18 Å. The Cr(2)-O(6) bond length is 2.15 Å. The Cr(2)-O(8) bond length is 2.13 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(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 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(10) bond length is 2.05 Å. The Fe(1)-O(22) bond length is 1.92 Å. The Fe(1)-O(23) bond length is 1.92 Å. The Fe(1)-O(24) bond length is 1.93 Å. The Fe(1)-O(6) bond length is 2.14 Å. The Fe(1)-O(8) bond length is 2.27 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 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(2)-O(12) bond length is 1.95 Å. The Fe(2)-O(14) bond length is 2.17 Å. The Fe(2)-O(20) bond length is 1.94 Å. The Fe(2)-O(4) bond length is 2.04 Å. The Fe(2)-O(7) bond length is 2.34 Å. The Fe(2)-O(9) bond length is 1.92 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one V(1)O6 pentagonal pyramid. The Fe(3)-O(1) bond length is 2.20 Å. The Fe(3)-O(15) bond length is 1.89 Å. The Fe(3)-O(17) bond length is 2.01 Å. The Fe(3)-O(19) bond length is 1.97 Å. The Fe(3)-O(2) bond length is 2.26 Å. The Fe(3)-O(3) bond length is 2.11 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-48°. The P(1)-O(3) bond length is 1.60 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.54 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 7-49°. The P(2)-O(1) bond length is 1.59 Å. The P(2)-O(13) 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 1.54 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-51°. The P(3)-O(10) bond length is 1.53 Å. The P(3)-O(14) bond length is 1.54 Å. The P(3)-O(16) bond length is 1.57 Å. The P(3)-O(2) bond length is 1.58 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 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 28-50°. The P(4)-O(11) bond length is 1.55 Å. The P(4)-O(15) bond length is 1.57 Å. The P(4)-O(23) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.54 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 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 30-51°. The P(5)-O(12) bond length is 1.53 Å. The P(5)-O(17) bond length is 1.59 Å. The P(5)-O(18) bond length is 1.56 Å. The P(5)-O(24) bond length is 1.53 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 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 28-49°. The P(6)-O(19) bond length is 1.61 Å. The P(6)-O(20) bond length is 1.54 Å. The P(6)-O(21) bond length is 1.52 Å. The P(6)-O(22) bond length is 1.53 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one V(1), one Fe(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Fe(3), and one P(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(1), 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 3-coordinate geometry to one Mg(1), one V(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(1), 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 Cr(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) 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(1), 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(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Mg(1), 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 distorted bent 150 degrees geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), 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 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(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Fe(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(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom.