The structure described by LiMnP2HO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(2) atoms. Mn(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-53°. H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.915
_cell_length_b   5.232
_cell_length_c   8.982
_cell_angle_alpha   64.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.902
_cell_formula_units_Z   4
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  0.515  0.687  0.123  1.0
  Li  Li1  1  0.015  0.313  0.377  1.0
  Li  Li2  1  0.985  0.687  0.623  1.0
  Li  Li3  1  0.485  0.313  0.877  1.0
  Mn  Mn4  1  0.874  0.379  0.014  1.0
  Mn  Mn5  1  0.374  0.621  0.486  1.0
  Mn  Mn6  1  0.626  0.379  0.514  1.0
  Mn  Mn7  1  0.126  0.621  0.986  1.0
  P  P8  1  0.544  0.093  0.249  1.0
  P  P9  1  0.044  0.907  0.251  1.0
  P  P10  1  0.832  0.697  0.272  1.0
  P  P11  1  0.332  0.303  0.228  1.0
  P  P12  1  0.668  0.697  0.772  1.0
  P  P13  1  0.168  0.303  0.728  1.0
  P  P14  1  0.956  0.093  0.749  1.0
  P  P15  1  0.456  0.907  0.751  1.0
  H  H16  1  0.681  0.013  0.112  1.0
  H  H17  1  0.181  0.987  0.388  1.0
  H  H18  1  0.819  0.013  0.612  1.0
  H  H19  1  0.319  0.987  0.888  1.0
  O  O20  1  0.026  0.187  0.101  1.0
  O  O21  1  0.599  0.033  0.108  1.0
  O  O22  1  0.795  0.967  0.124  1.0
  O  O23  1  0.435  0.201  0.151  1.0
  O  O24  1  0.258  0.400  0.085  1.0
  O  O25  1  0.092  0.664  0.226  1.0
  O  O26  1  0.878  0.467  0.231  1.0
  O  O27  1  0.378  0.533  0.269  1.0
  O  O28  1  0.935  0.799  0.349  1.0
  O  O29  1  0.295  0.033  0.376  1.0
  O  O30  1  0.592  0.336  0.274  1.0
  O  O31  1  0.099  0.967  0.392  1.0
  O  O32  1  0.526  0.813  0.399  1.0
  O  O33  1  0.758  0.600  0.415  1.0
  O  O34  1  0.242  0.400  0.585  1.0
  O  O35  1  0.474  0.187  0.601  1.0
  O  O36  1  0.901  0.033  0.608  1.0
  O  O37  1  0.408  0.664  0.726  1.0
  O  O38  1  0.705  0.967  0.624  1.0
  O  O39  1  0.065  0.201  0.651  1.0
  O  O40  1  0.622  0.467  0.731  1.0
  O  O41  1  0.122  0.533  0.769  1.0
  O  O42  1  0.908  0.336  0.774  1.0
  O  O43  1  0.742  0.600  0.915  1.0
  O  O44  1  0.565  0.799  0.849  1.0
  O  O45  1  0.205  0.033  0.876  1.0
  O  O46  1  0.401  0.967  0.892  1.0
  O  O47  1  0.974  0.813  0.899  1.0
[/CIF]
.
The structure described by LiMnP2HO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(2) atoms. Mn(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-53°. H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.915
_cell_length_b   5.232
_cell_length_c   8.982
_cell_angle_alpha   64.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.902
_cell_formula_units_Z   4
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  0.515  0.687  0.123  1.0
  Li  Li1  1  0.015  0.313  0.377  1.0
  Li  Li2  1  0.985  0.687  0.623  1.0
  Li  Li3  1  0.485  0.313  0.877  1.0
  Mn  Mn4  1  0.874  0.379  0.014  1.0
  Mn  Mn5  1  0.374  0.621  0.486  1.0
  Mn  Mn6  1  0.626  0.379  0.514  1.0
  Mn  Mn7  1  0.126  0.621  0.986  1.0
  P  P8  1  0.544  0.093  0.249  1.0
  P  P9  1  0.044  0.907  0.251  1.0
  P  P10  1  0.832  0.697  0.272  1.0
  P  P11  1  0.332  0.303  0.228  1.0
  P  P12  1  0.668  0.697  0.772  1.0
  P  P13  1  0.168  0.303  0.728  1.0
  P  P14  1  0.956  0.093  0.749  1.0
  P  P15  1  0.456  0.907  0.751  1.0
  H  H16  1  0.681  0.013  0.112  1.0
  H  H17  1  0.181  0.987  0.388  1.0
  H  H18  1  0.819  0.013  0.612  1.0
  H  H19  1  0.319  0.987  0.888  1.0
  O  O20  1  0.026  0.187  0.101  1.0
  O  O21  1  0.599  0.033  0.108  1.0
  O  O22  1  0.795  0.967  0.124  1.0
  O  O23  1  0.435  0.201  0.151  1.0
  O  O24  1  0.258  0.400  0.085  1.0
  O  O25  1  0.092  0.664  0.226  1.0
  O  O26  1  0.878  0.467  0.231  1.0
  O  O27  1  0.378  0.533  0.269  1.0
  O  O28  1  0.935  0.799  0.349  1.0
  O  O29  1  0.295  0.033  0.376  1.0
  O  O30  1  0.592  0.336  0.274  1.0
  O  O31  1  0.099  0.967  0.392  1.0
  O  O32  1  0.526  0.813  0.399  1.0
  O  O33  1  0.758  0.600  0.415  1.0
  O  O34  1  0.242  0.400  0.585  1.0
  O  O35  1  0.474  0.187  0.601  1.0
  O  O36  1  0.901  0.033  0.608  1.0
  O  O37  1  0.408  0.664  0.726  1.0
  O  O38  1  0.705  0.967  0.624  1.0
  O  O39  1  0.065  0.201  0.651  1.0
  O  O40  1  0.622  0.467  0.731  1.0
  O  O41  1  0.122  0.533  0.769  1.0
  O  O42  1  0.908  0.336  0.774  1.0
  O  O43  1  0.742  0.600  0.915  1.0
  O  O44  1  0.565  0.799  0.849  1.0
  O  O45  1  0.205  0.033  0.876  1.0
  O  O46  1  0.401  0.967  0.892  1.0
  O  O47  1  0.974  0.813  0.899  1.0
[/CIF]
.