The compound described by LiMnPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. Mn(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form MnO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. 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 three equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   8.297
_cell_length_c   11.192
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.800
_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  0.700  0.317  0.190  1.0
  Li  Li1  1  0.200  0.817  0.310  1.0
  Li  Li2  1  0.700  0.183  0.690  1.0
  Li  Li3  1  0.200  0.683  0.810  1.0
  Mn  Mn4  1  0.195  0.126  0.123  1.0
  Mn  Mn5  1  0.695  0.626  0.377  1.0
  Mn  Mn6  1  0.195  0.374  0.623  1.0
  Mn  Mn7  1  0.695  0.874  0.877  1.0
  P  P8  1  0.694  0.917  0.172  1.0
  P  P9  1  0.194  0.417  0.328  1.0
  P  P10  1  0.694  0.583  0.672  1.0
  P  P11  1  0.194  0.083  0.828  1.0
  H  H12  1  0.363  0.558  0.001  1.0
  H  H13  1  0.152  0.682  0.040  1.0
  H  H14  1  0.652  0.182  0.460  1.0
  H  H15  1  0.863  0.058  0.499  1.0
  H  H16  1  0.363  0.942  0.501  1.0
  H  H17  1  0.152  0.818  0.540  1.0
  H  H18  1  0.652  0.318  0.960  1.0
  H  H19  1  0.863  0.442  0.999  1.0
  O  O20  1  0.687  0.403  0.019  1.0
  O  O21  1  0.627  0.832  0.053  1.0
  O  O22  1  0.582  0.093  0.171  1.0
  O  O23  1  0.994  0.927  0.190  1.0
  O  O24  1  0.072  0.323  0.222  1.0
  O  O25  1  0.572  0.823  0.278  1.0
  O  O26  1  0.494  0.427  0.310  1.0
  O  O27  1  0.082  0.593  0.329  1.0
  O  O28  1  0.127  0.332  0.447  1.0
  O  O29  1  0.187  0.903  0.481  1.0
  O  O30  1  0.687  0.097  0.519  1.0
  O  O31  1  0.627  0.668  0.553  1.0
  O  O32  1  0.582  0.407  0.671  1.0
  O  O33  1  0.994  0.573  0.690  1.0
  O  O34  1  0.072  0.177  0.722  1.0
  O  O35  1  0.572  0.677  0.778  1.0
  O  O36  1  0.494  0.073  0.810  1.0
  O  O37  1  0.082  0.907  0.829  1.0
  O  O38  1  0.127  0.168  0.947  1.0
  O  O39  1  0.187  0.597  0.981  1.0
[/CIF]
.
The compound described by LiMnPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. Mn(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form MnO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. 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 three equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   8.297
_cell_length_c   11.192
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.800
_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  0.700  0.317  0.190  1.0
  Li  Li1  1  0.200  0.817  0.310  1.0
  Li  Li2  1  0.700  0.183  0.690  1.0
  Li  Li3  1  0.200  0.683  0.810  1.0
  Mn  Mn4  1  0.195  0.126  0.123  1.0
  Mn  Mn5  1  0.695  0.626  0.377  1.0
  Mn  Mn6  1  0.195  0.374  0.623  1.0
  Mn  Mn7  1  0.695  0.874  0.877  1.0
  P  P8  1  0.694  0.917  0.172  1.0
  P  P9  1  0.194  0.417  0.328  1.0
  P  P10  1  0.694  0.583  0.672  1.0
  P  P11  1  0.194  0.083  0.828  1.0
  H  H12  1  0.363  0.558  0.001  1.0
  H  H13  1  0.152  0.682  0.040  1.0
  H  H14  1  0.652  0.182  0.460  1.0
  H  H15  1  0.863  0.058  0.499  1.0
  H  H16  1  0.363  0.942  0.501  1.0
  H  H17  1  0.152  0.818  0.540  1.0
  H  H18  1  0.652  0.318  0.960  1.0
  H  H19  1  0.863  0.442  0.999  1.0
  O  O20  1  0.687  0.403  0.019  1.0
  O  O21  1  0.627  0.832  0.053  1.0
  O  O22  1  0.582  0.093  0.171  1.0
  O  O23  1  0.994  0.927  0.190  1.0
  O  O24  1  0.072  0.323  0.222  1.0
  O  O25  1  0.572  0.823  0.278  1.0
  O  O26  1  0.494  0.427  0.310  1.0
  O  O27  1  0.082  0.593  0.329  1.0
  O  O28  1  0.127  0.332  0.447  1.0
  O  O29  1  0.187  0.903  0.481  1.0
  O  O30  1  0.687  0.097  0.519  1.0
  O  O31  1  0.627  0.668  0.553  1.0
  O  O32  1  0.582  0.407  0.671  1.0
  O  O33  1  0.994  0.573  0.690  1.0
  O  O34  1  0.072  0.177  0.722  1.0
  O  O35  1  0.572  0.677  0.778  1.0
  O  O36  1  0.494  0.073  0.810  1.0
  O  O37  1  0.082  0.907  0.829  1.0
  O  O38  1  0.127  0.168  0.947  1.0
  O  O39  1  0.187  0.597  0.981  1.0
[/CIF]
.