The compound described by Li2VMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(22), one O(6), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(23), one O(4), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(3)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, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(21), one O(30), and one O(5) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(16), one O(21), and one O(26) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fifth Li site, Li(5) is bonded to one O(19), one O(24), one O(27), one O(29), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the sixth Li site, Li(6) is bonded to one O(20), one O(24), one O(25), one O(29), 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-64°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(18), one O(25), one O(26), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(21), one O(26), one O(30), and one O(5) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  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, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. In the third V site, V(3) is bonded to one O(12), one O(14), one O(16), one O(22), one O(27), and one O(28) atom to form VO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(17), one O(19), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(19), one O(20), one O(24), one O(29), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)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, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(2), one O(22), one O(23), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  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(6)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 six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(27), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(3)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(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the second P site, P(2) is bonded to one O(1), one O(16), one O(2), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(3)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(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(18), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth P site, P(4) is bonded to one O(13), one O(20), one O(21), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth P site, P(5) is bonded to one O(15), one O(29), one O(3), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. In the sixth P site, P(6) is bonded to one O(17), one O(23), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(19) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(22) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(26) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(2) 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 Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one V(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(5), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(6), one Mn(1), one Mn(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(1), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(3), one Mn(3), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Li(5), one Mn(1), one Mn(2), and one H(4) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Li(6), one Mn(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Li(1), one V(3), one Mn(3), and one H(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one V(1), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Li(4), one V(1), one V(2), and one H(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(2), and one P(5) atom. In the thirtieth O site, O(30) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   7.369
_cell_length_c   14.302
_cell_angle_alpha   92.802
_cell_angle_beta   94.519
_cell_angle_gamma   105.431
_symmetry_Int_Tables_number   1
_cell_volume   547.292
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.849  0.423  0.249  1.0
  Li  Li1  1  0.816  0.243  0.417  1.0
  Li  Li2  1  0.520  0.094  0.915  1.0
  Li  Li3  1  0.482  0.906  0.085  1.0
  Li  Li4  1  0.183  0.757  0.583  1.0
  Li  Li5  1  0.150  0.577  0.751  1.0
  Mn  Mn6  1  0.666  0.167  0.667  1.0
  Mn  Mn7  1  0.667  0.667  0.666  1.0
  Mn  Mn8  1  0.333  0.333  0.334  1.0
  V  V9  1  1.000  0.500  0.000  1.0
  V  V10  1  0.001  0.001  1.000  1.0
  V  V11  1  0.334  0.833  0.333  1.0
  P  P12  1  0.807  0.672  0.440  1.0
  P  P13  1  0.860  0.994  0.226  1.0
  P  P14  1  0.469  0.338  0.108  1.0
  P  P15  1  0.531  0.663  0.892  1.0
  P  P16  1  0.142  0.009  0.773  1.0
  P  P17  1  0.191  0.324  0.561  1.0
  H  H18  1  0.937  0.218  0.878  1.0
  H  H19  1  0.725  0.457  0.786  1.0
  H  H20  1  0.391  0.117  0.453  1.0
  H  H21  1  0.608  0.876  0.547  1.0
  H  H22  1  0.277  0.550  0.214  1.0
  H  H23  1  0.063  0.783  0.121  1.0
  O  O24  1  0.865  0.052  0.123  1.0
  O  O25  1  0.940  0.172  0.295  1.0
  O  O26  1  0.966  0.142  0.758  1.0
  O  O27  1  0.900  0.217  0.566  1.0
  O  O28  1  0.899  0.221  0.945  1.0
  O  O29  1  0.756  0.442  0.101  1.0
  O  O30  1  0.726  0.494  0.371  1.0
  O  O31  1  0.801  0.613  0.543  1.0
  O  O32  1  0.773  0.459  0.721  1.0
  O  O33  1  0.378  0.159  0.037  1.0
  O  O34  1  0.464  0.278  0.210  1.0
  O  O35  1  0.437  0.117  0.387  1.0
  O  O36  1  0.704  0.528  0.908  1.0
  O  O37  1  0.629  0.804  0.424  1.0
  O  O38  1  0.433  0.116  0.767  1.0
  O  O39  1  0.573  0.884  0.231  1.0
  O  O40  1  0.367  0.191  0.575  1.0
  O  O41  1  0.296  0.472  0.092  1.0
  O  O42  1  0.560  0.874  0.612  1.0
  O  O43  1  0.535  0.723  0.790  1.0
  O  O44  1  0.623  0.842  0.962  1.0
  O  O45  1  0.229  0.549  0.280  1.0
  O  O46  1  0.194  0.382  0.458  1.0
  O  O47  1  0.273  0.501  0.630  1.0
  O  O48  1  0.244  0.559  0.900  1.0
  O  O49  1  0.102  0.780  0.055  1.0
  O  O50  1  0.094  0.782  0.435  1.0
  O  O51  1  0.038  0.863  0.243  1.0
  O  O52  1  0.061  0.832  0.703  1.0
  O  O53  1  0.139  0.951  0.875  1.0
[/CIF]
.
The compound described by Li2VMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(22), one O(6), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(23), one O(4), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(3)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, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(21), one O(30), and one O(5) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(16), one O(21), and one O(26) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fifth Li site, Li(5) is bonded to one O(19), one O(24), one O(27), one O(29), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the sixth Li site, Li(6) is bonded to one O(20), one O(24), one O(25), one O(29), 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-64°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(18), one O(25), one O(26), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(21), one O(26), one O(30), and one O(5) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  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, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. In the third V site, V(3) is bonded to one O(12), one O(14), one O(16), one O(22), one O(27), and one O(28) atom to form VO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(17), one O(19), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(19), one O(20), one O(24), one O(29), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)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, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(2), one O(22), one O(23), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  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(6)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 six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(27), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(3)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(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the second P site, P(2) is bonded to one O(1), one O(16), one O(2), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(3)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(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(18), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth P site, P(4) is bonded to one O(13), one O(20), one O(21), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth P site, P(5) is bonded to one O(15), one O(29), one O(3), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. In the sixth P site, P(6) is bonded to one O(17), one O(23), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(19) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(22) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(26) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(2) 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 Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one V(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(5), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(6), one Mn(1), one Mn(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(1), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(3), one Mn(3), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Li(5), one Mn(1), one Mn(2), and one H(4) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Li(6), one Mn(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Li(1), one V(3), one Mn(3), and one H(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one V(1), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Li(4), one V(1), one V(2), and one H(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(2), and one P(5) atom. In the thirtieth O site, O(30) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   7.369
_cell_length_c   14.302
_cell_angle_alpha   92.802
_cell_angle_beta   94.519
_cell_angle_gamma   105.431
_symmetry_Int_Tables_number   1
_cell_volume   547.292
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.849  0.423  0.249  1.0
  Li  Li1  1  0.816  0.243  0.417  1.0
  Li  Li2  1  0.520  0.094  0.915  1.0
  Li  Li3  1  0.482  0.906  0.085  1.0
  Li  Li4  1  0.183  0.757  0.583  1.0
  Li  Li5  1  0.150  0.577  0.751  1.0
  Mn  Mn6  1  0.666  0.167  0.667  1.0
  Mn  Mn7  1  0.667  0.667  0.666  1.0
  Mn  Mn8  1  0.333  0.333  0.334  1.0
  V  V9  1  1.000  0.500  0.000  1.0
  V  V10  1  0.001  0.001  1.000  1.0
  V  V11  1  0.334  0.833  0.333  1.0
  P  P12  1  0.807  0.672  0.440  1.0
  P  P13  1  0.860  0.994  0.226  1.0
  P  P14  1  0.469  0.338  0.108  1.0
  P  P15  1  0.531  0.663  0.892  1.0
  P  P16  1  0.142  0.009  0.773  1.0
  P  P17  1  0.191  0.324  0.561  1.0
  H  H18  1  0.937  0.218  0.878  1.0
  H  H19  1  0.725  0.457  0.786  1.0
  H  H20  1  0.391  0.117  0.453  1.0
  H  H21  1  0.608  0.876  0.547  1.0
  H  H22  1  0.277  0.550  0.214  1.0
  H  H23  1  0.063  0.783  0.121  1.0
  O  O24  1  0.865  0.052  0.123  1.0
  O  O25  1  0.940  0.172  0.295  1.0
  O  O26  1  0.966  0.142  0.758  1.0
  O  O27  1  0.900  0.217  0.566  1.0
  O  O28  1  0.899  0.221  0.945  1.0
  O  O29  1  0.756  0.442  0.101  1.0
  O  O30  1  0.726  0.494  0.371  1.0
  O  O31  1  0.801  0.613  0.543  1.0
  O  O32  1  0.773  0.459  0.721  1.0
  O  O33  1  0.378  0.159  0.037  1.0
  O  O34  1  0.464  0.278  0.210  1.0
  O  O35  1  0.437  0.117  0.387  1.0
  O  O36  1  0.704  0.528  0.908  1.0
  O  O37  1  0.629  0.804  0.424  1.0
  O  O38  1  0.433  0.116  0.767  1.0
  O  O39  1  0.573  0.884  0.231  1.0
  O  O40  1  0.367  0.191  0.575  1.0
  O  O41  1  0.296  0.472  0.092  1.0
  O  O42  1  0.560  0.874  0.612  1.0
  O  O43  1  0.535  0.723  0.790  1.0
  O  O44  1  0.623  0.842  0.962  1.0
  O  O45  1  0.229  0.549  0.280  1.0
  O  O46  1  0.194  0.382  0.458  1.0
  O  O47  1  0.273  0.501  0.630  1.0
  O  O48  1  0.244  0.559  0.900  1.0
  O  O49  1  0.102  0.780  0.055  1.0
  O  O50  1  0.094  0.782  0.435  1.0
  O  O51  1  0.038  0.863  0.243  1.0
  O  O52  1  0.061  0.832  0.703  1.0
  O  O53  1  0.139  0.951  0.875  1.0
[/CIF]
.