Li3VMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-57°. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 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, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 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, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-57°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) 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 V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Mn(1), and one H(1) atom.
Li3VMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(9) atom. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 1.95 Å. The Li(1)-O(5) bond length is 2.28 Å. The Li(1)-O(7) bond length is 2.48 Å. The Li(1)-O(9) bond length is 2.04 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(7) atom. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-O(3) bond length is 2.37 Å. The Li(2)-O(5) bond length is 2.43 Å. The Li(2)-O(6) bond length is 1.92 Å. The Li(2)-O(7) bond length is 2.07 Å. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-57°. The Li(3)-O(10) bond length is 2.00 Å. The Li(3)-O(4) bond length is 2.07 Å. The Li(3)-O(5) bond length is 2.17 Å. The Li(3)-O(6) bond length is 2.09 Å. The Li(3)-O(8) bond length is 2.26 Å. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 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, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. The V(1)-O(1) bond length is 2.06 Å. The V(1)-O(10) bond length is 2.00 Å. The V(1)-O(2) bond length is 2.02 Å. The V(1)-O(3) bond length is 2.14 Å. The V(1)-O(8) bond length is 2.08 Å. The V(1)-O(9) bond length is 2.09 Å. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 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, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. The Mn(1)-O(1) bond length is 2.30 Å. The Mn(1)-O(10) bond length is 2.19 Å. The Mn(1)-O(4) bond length is 2.16 Å. The Mn(1)-O(5) bond length is 2.16 Å. The Mn(1)-O(6) bond length is 2.19 Å. The Mn(1)-O(7) bond length is 2.16 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-57°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(8) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-56°. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.56 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. The H(1)-O(10) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.98 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) 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 V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Mn(1), and one H(1) atom.