MgTi3Fe2Co(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) 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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 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 Ti site, Ti(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 TiO6 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 Mg(1)O6 octahedra. In the third Ti site, Ti(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 TiO6 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 Fe sites. In the first Fe site, Fe(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 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 Mg(1)O6 octahedra. In the second Fe site, Fe(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. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(16), one O(3), and one O(5) atom. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(3), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Co(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 Ti(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), 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 Ti(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), 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 Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom.
MgTi3Fe2Co(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) 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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The Mg(1)-O(11) bond length is 2.22 Å. The Mg(1)-O(14) bond length is 2.16 Å. The Mg(1)-O(18) bond length is 2.19 Å. The Mg(1)-O(21) bond length is 2.14 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(7) bond length is 2.17 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 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 Ti(1)-O(10) bond length is 2.11 Å. The Ti(1)-O(22) bond length is 1.91 Å. The Ti(1)-O(23) bond length is 1.89 Å. The Ti(1)-O(24) bond length is 1.90 Å. The Ti(1)-O(6) bond length is 2.08 Å. The Ti(1)-O(8) bond length is 2.06 Å. In the second Ti site, Ti(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 TiO6 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 Mg(1)O6 octahedra. The Ti(2)-O(12) bond length is 1.95 Å. The Ti(2)-O(14) bond length is 2.09 Å. The Ti(2)-O(20) bond length is 1.94 Å. The Ti(2)-O(4) bond length is 2.12 Å. The Ti(2)-O(7) bond length is 2.11 Å. The Ti(2)-O(9) bond length is 1.94 Å. In the third Ti site, Ti(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 TiO6 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 Ti(3)-O(1) bond length is 2.14 Å. The Ti(3)-O(15) bond length is 2.03 Å. The Ti(3)-O(17) bond length is 2.07 Å. The Ti(3)-O(19) bond length is 2.01 Å. The Ti(3)-O(2) bond length is 1.94 Å. The Ti(3)-O(3) bond length is 2.10 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(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 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 Mg(1)O6 octahedra. The Fe(1)-O(11) bond length is 2.07 Å. The Fe(1)-O(13) bond length is 2.17 Å. The Fe(1)-O(16) bond length is 2.13 Å. The Fe(1)-O(18) bond length is 2.08 Å. The Fe(1)-O(21) bond length is 2.11 Å. The Fe(1)-O(5) bond length is 2.23 Å. In the second Fe site, Fe(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 Fe(2)-O(10) bond length is 2.21 Å. The Fe(2)-O(15) bond length is 2.28 Å. The Fe(2)-O(17) bond length is 2.25 Å. The Fe(2)-O(19) bond length is 2.26 Å. The Fe(2)-O(6) bond length is 2.18 Å. The Fe(2)-O(8) bond length is 2.22 Å. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(16), one O(3), and one O(5) atom. The Co(1)-O(1) bond length is 2.00 Å. The Co(1)-O(13) bond length is 2.09 Å. The Co(1)-O(16) bond length is 2.15 Å. The Co(1)-O(3) bond length is 2.01 Å. The Co(1)-O(5) bond length is 2.09 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. The P(2)-O(1) bond length is 1.58 Å. The P(2)-O(13) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.56 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. The P(3)-O(10) bond length is 1.57 Å. The P(3)-O(14) bond length is 1.56 Å. The P(3)-O(16) bond length is 1.52 Å. The P(3)-O(2) bond length is 1.56 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. The P(4)-O(11) bond length is 1.54 Å. The P(4)-O(15) bond length is 1.58 Å. The P(4)-O(23) bond length is 1.54 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. The P(5)-O(12) bond length is 1.54 Å. The P(5)-O(17) bond length is 1.57 Å. The P(5)-O(18) bond length is 1.54 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. The P(6)-O(19) bond length is 1.58 Å. The P(6)-O(20) bond length is 1.54 Å. The P(6)-O(21) bond length is 1.53 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 distorted T-shaped geometry to one Ti(3), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Co(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 Ti(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), 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 Ti(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), 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 Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom.