The crystal structure described by Li2VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)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 51-63°. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   7.334
_cell_length_c   5.162
_cell_angle_alpha   106.602
_cell_angle_beta   99.633
_cell_angle_gamma   107.652
_symmetry_Int_Tables_number   1
_cell_volume   182.775
_cell_formula_units_Z   1
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  0.388  0.825  0.743  1.0
  Li  Li1  1  0.612  0.175  0.257  1.0
  Mn  Mn2  1  1.000  0.500  0.000  1.0
  V  V3  1  0.000  1.000  0.000  1.0
  P  P4  1  0.367  0.234  0.672  1.0
  P  P5  1  0.633  0.766  0.328  1.0
  H  H6  1  0.075  0.345  0.358  1.0
  H  H7  1  0.926  0.655  0.642  1.0
  O  O8  1  0.041  0.720  0.841  1.0
  O  O9  1  0.222  0.384  0.710  1.0
  O  O10  1  0.333  0.663  0.305  1.0
  O  O11  1  0.259  0.072  0.367  1.0
  O  O12  1  0.338  0.116  0.882  1.0
  O  O13  1  0.662  0.884  0.118  1.0
  O  O14  1  0.742  0.928  0.633  1.0
  O  O15  1  0.666  0.337  0.695  1.0
  O  O16  1  0.778  0.616  0.290  1.0
  O  O17  1  0.959  0.280  0.159  1.0
[/CIF]
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The crystal structure described by Li2VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)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 51-63°. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-53°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   7.334
_cell_length_c   5.162
_cell_angle_alpha   106.602
_cell_angle_beta   99.633
_cell_angle_gamma   107.652
_symmetry_Int_Tables_number   1
_cell_volume   182.775
_cell_formula_units_Z   1
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  0.388  0.825  0.743  1.0
  Li  Li1  1  0.612  0.175  0.257  1.0
  Mn  Mn2  1  1.000  0.500  0.000  1.0
  V  V3  1  0.000  1.000  0.000  1.0
  P  P4  1  0.367  0.234  0.672  1.0
  P  P5  1  0.633  0.766  0.328  1.0
  H  H6  1  0.075  0.345  0.358  1.0
  H  H7  1  0.926  0.655  0.642  1.0
  O  O8  1  0.041  0.720  0.841  1.0
  O  O9  1  0.222  0.384  0.710  1.0
  O  O10  1  0.333  0.663  0.305  1.0
  O  O11  1  0.259  0.072  0.367  1.0
  O  O12  1  0.338  0.116  0.882  1.0
  O  O13  1  0.662  0.884  0.118  1.0
  O  O14  1  0.742  0.928  0.633  1.0
  O  O15  1  0.666  0.337  0.695  1.0
  O  O16  1  0.778  0.616  0.290  1.0
  O  O17  1  0.959  0.280  0.159  1.0
[/CIF]
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