Li2Ti2Cr2Mn(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(20), one O(22), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(15), one O(20), one O(21), one O(3), and one O(7) 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(10), one O(14), one O(19), one O(22), one O(4), and one O(5) 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. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) atom to form 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(12), one O(17), one O(18), one O(23), one O(24), and one O(9) atom to form 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, and  a cornercorner with one P(6)O4 tetrahedra. Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the sixth P site, P(6) is bonded to one O(17), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom.
Li2Ti2Cr2Mn(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(20), one O(22), one O(3), and one O(5) atom. The Li(1)-O(10) bond length is 2.32 Å. The Li(1)-O(15) bond length is 2.28 Å. The Li(1)-O(20) bond length is 2.37 Å. The Li(1)-O(22) bond length is 2.27 Å. The Li(1)-O(3) bond length is 2.39 Å. The Li(1)-O(5) bond length is 2.26 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(6) atom. The Li(2)-O(13) bond length is 2.18 Å. The Li(2)-O(16) bond length is 2.32 Å. The Li(2)-O(20) bond length is 2.12 Å. The Li(2)-O(21) bond length is 2.48 Å. The Li(2)-O(3) bond length is 2.29 Å. The Li(2)-O(6) bond length is 2.27 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(15), one O(20), one O(21), one O(3), and one O(7) 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(11) bond length is 1.88 Å. The Ti(1)-O(15) bond length is 1.98 Å. The Ti(1)-O(20) bond length is 2.02 Å. The Ti(1)-O(21) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 2.04 Å. The Ti(1)-O(7) bond length is 1.89 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(14), one O(19), one O(22), one O(4), and one O(5) 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(2)-O(10) bond length is 1.99 Å. The Ti(2)-O(14) bond length is 1.94 Å. The Ti(2)-O(19) bond length is 1.92 Å. The Ti(2)-O(22) bond length is 1.97 Å. The Ti(2)-O(4) bond length is 1.92 Å. The Ti(2)-O(5) bond length is 1.97 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) atom to form 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, and  a cornercorner with one P(6)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.94 Å. The Cr(1)-O(13) bond length is 2.05 Å. The Cr(1)-O(16) bond length is 2.08 Å. The Cr(1)-O(2) bond length is 1.94 Å. The Cr(1)-O(6) bond length is 2.00 Å. The Cr(1)-O(8) bond length is 2.05 Å. In the second Cr site, Cr(2) is bonded to one O(12), one O(17), one O(18), one O(23), one O(24), and one O(9) atom to form 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, and  a cornercorner with one P(6)O4 tetrahedra. The Cr(2)-O(12) bond length is 2.03 Å. The Cr(2)-O(17) bond length is 2.03 Å. The Cr(2)-O(18) bond length is 1.96 Å. The Cr(2)-O(23) bond length is 1.95 Å. The Cr(2)-O(24) bond length is 1.95 Å. The Cr(2)-O(9) bond length is 2.05 Å. Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom. The Mn(1)-O(12) bond length is 2.21 Å. The Mn(1)-O(13) bond length is 2.30 Å. The Mn(1)-O(16) bond length is 2.31 Å. The Mn(1)-O(17) bond length is 2.25 Å. The Mn(1)-O(8) bond length is 2.22 Å. The Mn(1)-O(9) bond length is 2.21 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. The P(1)-O(23) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(9) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. The P(3)-O(1) bond length is 1.51 Å. The P(3)-O(11) bond length is 1.56 Å. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(5) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. The P(4)-O(13) bond length is 1.57 Å. The P(4)-O(14) bond length is 1.53 Å. The P(4)-O(20) bond length is 1.56 Å. The P(4)-O(24) bond length is 1.51 Å. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. The P(5)-O(15) bond length is 1.55 Å. The P(5)-O(16) bond length is 1.57 Å. The P(5)-O(18) bond length is 1.52 Å. The P(5)-O(19) bond length is 1.54 Å. In the sixth P site, P(6) is bonded to one O(17), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. The P(6)-O(17) bond length is 1.56 Å. The P(6)-O(2) bond length is 1.52 Å. The P(6)-O(21) bond length is 1.56 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 Cr(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom.