Li2VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(4) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), 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(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), 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,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one V(2), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(2), one Mn(1), one Mn(2), and one H(2) atom.
Li2VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. The Li(1)-O(2) bond length is 2.20 Å. The Li(1)-O(3) bond length is 2.03 Å. The Li(1)-O(5) bond length is 2.08 Å. The Li(1)-O(7) bond length is 2.20 Å. The Li(1)-O(9) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(4) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-65°. The Li(2)-O(1) bond length is 2.15 Å. The Li(2)-O(10) bond length is 2.01 Å. The Li(2)-O(2) bond length is 2.06 Å. The Li(2)-O(3) bond length is 2.18 Å. The Li(2)-O(4) bond length is 2.08 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Both V(1)-O(1) bond lengths are 2.02 Å. Both V(1)-O(8) bond lengths are 2.06 Å. Both V(1)-O(9) bond lengths are 2.08 Å. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. Both V(2)-O(2) bond lengths are 2.07 Å. Both V(2)-O(4) bond lengths are 2.01 Å. Both V(2)-O(9) bond lengths are 2.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Both Mn(1)-O(10) bond lengths are 2.16 Å. Both Mn(1)-O(6) bond lengths are 2.07 Å. Both Mn(1)-O(7) bond lengths are 1.98 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. Both Mn(2)-O(10) bond lengths are 1.96 Å. Both Mn(2)-O(3) bond lengths are 2.14 Å. Both Mn(2)-O(5) bond lengths are 2.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), 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(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), 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,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-53°. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.55 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. The H(1)-O(9) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.99 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one V(2), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(2), one Mn(1), one Mn(2), and one H(2) atom.