The compound described by LiMnP2(HO4)2 crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(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 bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) 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 card [CIF]
data_LiMnP2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   7.005
_cell_length_c   8.046
_cell_angle_alpha   90.001
_cell_angle_beta   89.997
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   297.657
_cell_formula_units_Z   2
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
  H  H0  1  0.798  0.508  0.790  1.0
  H  H1  1  0.798  0.492  0.210  1.0
  H  H2  1  0.702  0.008  0.710  1.0
  H  H3  1  0.702  0.992  0.290  1.0
  Li  Li4  1  0.333  1.000  0.500  1.0
  Li  Li5  1  0.168  0.500  1.000  1.0
  Mn  Mn6  1  0.016  0.000  0.000  1.0
  Mn  Mn7  1  0.484  0.500  0.500  1.0
  O  O8  1  0.977  0.449  0.785  1.0
  O  O9  1  0.977  0.551  0.215  1.0
  O  O10  1  0.523  0.949  0.715  1.0
  O  O11  1  0.523  0.051  0.285  1.0
  O  O12  1  0.975  0.915  0.274  1.0
  O  O13  1  0.975  0.085  0.726  1.0
  O  O14  1  0.525  0.585  0.774  1.0
  O  O15  1  0.525  0.415  0.226  1.0
  O  O16  1  0.743  0.308  0.539  1.0
  O  O17  1  0.743  0.692  0.461  1.0
  O  O18  1  0.757  0.809  0.961  1.0
  O  O19  1  0.757  0.192  0.039  1.0
  O  O20  1  0.269  0.200  0.047  1.0
  O  O21  1  0.269  0.800  0.953  1.0
  O  O22  1  0.230  0.300  0.547  1.0
  O  O23  1  0.231  0.700  0.453  1.0
  P  P24  1  0.981  0.715  0.352  1.0
  P  P25  1  0.981  0.285  0.648  1.0
  P  P26  1  0.519  0.785  0.852  1.0
  P  P27  1  0.519  0.215  0.148  1.0
[/CIF]
.
The compound described by LiMnP2(HO4)2 crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(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 bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) 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 card [CIF]
data_LiMnP2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   7.005
_cell_length_c   8.046
_cell_angle_alpha   90.001
_cell_angle_beta   89.997
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   297.657
_cell_formula_units_Z   2
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
  H  H0  1  0.798  0.508  0.790  1.0
  H  H1  1  0.798  0.492  0.210  1.0
  H  H2  1  0.702  0.008  0.710  1.0
  H  H3  1  0.702  0.992  0.290  1.0
  Li  Li4  1  0.333  1.000  0.500  1.0
  Li  Li5  1  0.168  0.500  1.000  1.0
  Mn  Mn6  1  0.016  0.000  0.000  1.0
  Mn  Mn7  1  0.484  0.500  0.500  1.0
  O  O8  1  0.977  0.449  0.785  1.0
  O  O9  1  0.977  0.551  0.215  1.0
  O  O10  1  0.523  0.949  0.715  1.0
  O  O11  1  0.523  0.051  0.285  1.0
  O  O12  1  0.975  0.915  0.274  1.0
  O  O13  1  0.975  0.085  0.726  1.0
  O  O14  1  0.525  0.585  0.774  1.0
  O  O15  1  0.525  0.415  0.226  1.0
  O  O16  1  0.743  0.308  0.539  1.0
  O  O17  1  0.743  0.692  0.461  1.0
  O  O18  1  0.757  0.809  0.961  1.0
  O  O19  1  0.757  0.192  0.039  1.0
  O  O20  1  0.269  0.200  0.047  1.0
  O  O21  1  0.269  0.800  0.953  1.0
  O  O22  1  0.230  0.300  0.547  1.0
  O  O23  1  0.231  0.700  0.453  1.0
  P  P24  1  0.981  0.715  0.352  1.0
  P  P25  1  0.981  0.285  0.648  1.0
  P  P26  1  0.519  0.785  0.852  1.0
  P  P27  1  0.519  0.215  0.148  1.0
[/CIF]
.