LiVMn(P2O7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(17), one O(19), one O(22), and one O(25) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(13), one O(5), one O(6), and one O(7) atom to form 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second V site, V(2) is bonded to one O(19), one O(20), one O(21), one O(25), one O(26), and one O(27) atom to form VO6 octahedra that share  a cornercorner with one P(2)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 cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 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(7)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(16), one O(17), one O(18), one O(22), one O(23), and one O(24) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(23), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. In the second P site, P(2) is bonded to one O(1), one O(26), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(20), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. In the sixth P site, P(6) is bonded to one O(12), one O(15), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the seventh P site, P(7) is bonded to one O(24), one O(25), one O(28), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the eighth P site, P(8) is bonded to one O(22), one O(27), one O(28), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one V(2) and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one P(7) and one P(8) atom.
LiVMn(P2O7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(10), one O(12), one O(4), and one O(7) atom. The Li(1)-O(10) bond length is 2.01 Å. The Li(1)-O(12) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.99 Å. The Li(1)-O(7) bond length is 2.16 Å. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(17), one O(19), one O(22), and one O(25) atom. The Li(2)-O(17) bond length is 1.98 Å. The Li(2)-O(19) bond length is 1.97 Å. The Li(2)-O(22) bond length is 1.98 Å. The Li(2)-O(25) bond length is 2.07 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(13), one O(5), one O(6), and one O(7) atom to form 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The V(1)-O(11) bond length is 1.93 Å. The V(1)-O(12) bond length is 1.99 Å. The V(1)-O(13) bond length is 1.93 Å. The V(1)-O(5) bond length is 1.95 Å. The V(1)-O(6) bond length is 1.92 Å. The V(1)-O(7) bond length is 2.01 Å. In the second V site, V(2) is bonded to one O(19), one O(20), one O(21), one O(25), one O(26), and one O(27) atom to form VO6 octahedra that share  a cornercorner with one P(2)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 cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The V(2)-O(19) bond length is 2.03 Å. The V(2)-O(20) bond length is 1.92 Å. The V(2)-O(21) bond length is 1.95 Å. The V(2)-O(25) bond length is 2.01 Å. The V(2)-O(26) bond length is 1.91 Å. The V(2)-O(27) bond length is 1.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 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(7)O4 tetrahedra. The Mn(1)-O(10) bond length is 2.05 Å. The Mn(1)-O(2) bond length is 1.99 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 2.26 Å. The Mn(1)-O(8) bond length is 2.13 Å. The Mn(1)-O(9) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(16), one O(17), one O(18), one O(22), one O(23), and one O(24) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The Mn(2)-O(16) bond length is 1.95 Å. The Mn(2)-O(17) bond length is 2.02 Å. The Mn(2)-O(18) bond length is 2.12 Å. The Mn(2)-O(22) bond length is 2.27 Å. The Mn(2)-O(23) bond length is 1.95 Å. The Mn(2)-O(24) bond length is 1.96 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(23), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. The P(1)-O(1) bond length is 1.62 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(23) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(1), one O(26), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-52°. The P(2)-O(1) bond length is 1.61 Å. The P(2)-O(26) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. The P(3)-O(10) bond length is 1.53 Å. The P(3)-O(11) bond length is 1.54 Å. The P(3)-O(14) bond length is 1.61 Å. The P(3)-O(17) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. The P(4)-O(15) bond length is 1.63 Å. The P(4)-O(16) bond length is 1.53 Å. The P(4)-O(21) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.53 Å. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(20), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. The P(5)-O(13) bond length is 1.55 Å. The P(5)-O(14) bond length is 1.63 Å. The P(5)-O(20) bond length is 1.55 Å. The P(5)-O(8) bond length is 1.49 Å. In the sixth P site, P(6) is bonded to one O(12), one O(15), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-53°. The P(6)-O(12) bond length is 1.55 Å. The P(6)-O(15) bond length is 1.62 Å. The P(6)-O(18) bond length is 1.49 Å. The P(6)-O(19) bond length is 1.55 Å. In the seventh P site, P(7) is bonded to one O(24), one O(25), one O(28), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. The P(7)-O(24) bond length is 1.52 Å. The P(7)-O(25) bond length is 1.55 Å. The P(7)-O(28) bond length is 1.62 Å. The P(7)-O(3) bond length is 1.52 Å. In the eighth P site, P(8) is bonded to one O(22), one O(27), one O(28), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. The P(8)-O(22) bond length is 1.51 Å. The P(8)-O(27) bond length is 1.55 Å. The P(8)-O(28) bond length is 1.61 Å. The P(8)-O(6) bond length is 1.54 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one V(2) and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one P(7) and one P(8) atom.