The compound described by LiMnPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-78°. 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 six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2P trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. 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. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   6.462
_cell_length_c   9.453
_cell_angle_alpha   89.987
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.235
_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  0.023  0.250  0.670  1.0
  Li  Li1  1  0.477  0.250  0.170  1.0
  Li  Li2  1  0.977  0.750  0.330  1.0
  Li  Li3  1  0.523  0.750  0.830  1.0
  Mn  Mn4  1  1.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  1.000  1.0
  Mn  Mn7  1  0.500  1.000  0.500  1.0
  P  P8  1  0.979  0.250  0.321  1.0
  P  P9  1  0.521  0.250  0.821  1.0
  P  P10  1  0.021  0.750  0.679  1.0
  P  P11  1  0.479  0.750  0.179  1.0
  O  O12  1  0.927  0.250  0.155  1.0
  O  O13  1  0.573  0.250  0.655  1.0
  O  O14  1  0.427  0.750  0.345  1.0
  O  O15  1  0.073  0.750  0.845  1.0
  O  O16  1  0.285  0.250  0.359  1.0
  O  O17  1  0.215  0.250  0.859  1.0
  O  O18  1  0.715  0.750  0.641  1.0
  O  O19  1  0.785  0.750  0.141  1.0
  O  O20  1  0.849  0.051  0.379  1.0
  O  O21  1  0.651  0.051  0.879  1.0
  O  O22  1  0.849  0.448  0.379  1.0
  O  O23  1  0.651  0.448  0.879  1.0
  O  O24  1  0.349  0.552  0.121  1.0
  O  O25  1  0.151  0.552  0.621  1.0
  O  O26  1  0.349  0.949  0.121  1.0
  O  O27  1  0.151  0.949  0.621  1.0
[/CIF]
.
The compound described by LiMnPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-78°. 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 six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2P trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. 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. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   6.462
_cell_length_c   9.453
_cell_angle_alpha   89.987
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.235
_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  0.023  0.250  0.670  1.0
  Li  Li1  1  0.477  0.250  0.170  1.0
  Li  Li2  1  0.977  0.750  0.330  1.0
  Li  Li3  1  0.523  0.750  0.830  1.0
  Mn  Mn4  1  1.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  1.000  1.0
  Mn  Mn7  1  0.500  1.000  0.500  1.0
  P  P8  1  0.979  0.250  0.321  1.0
  P  P9  1  0.521  0.250  0.821  1.0
  P  P10  1  0.021  0.750  0.679  1.0
  P  P11  1  0.479  0.750  0.179  1.0
  O  O12  1  0.927  0.250  0.155  1.0
  O  O13  1  0.573  0.250  0.655  1.0
  O  O14  1  0.427  0.750  0.345  1.0
  O  O15  1  0.073  0.750  0.845  1.0
  O  O16  1  0.285  0.250  0.359  1.0
  O  O17  1  0.215  0.250  0.859  1.0
  O  O18  1  0.715  0.750  0.641  1.0
  O  O19  1  0.785  0.750  0.141  1.0
  O  O20  1  0.849  0.051  0.379  1.0
  O  O21  1  0.651  0.051  0.879  1.0
  O  O22  1  0.849  0.448  0.379  1.0
  O  O23  1  0.651  0.448  0.879  1.0
  O  O24  1  0.349  0.552  0.121  1.0
  O  O25  1  0.151  0.552  0.621  1.0
  O  O26  1  0.349  0.949  0.121  1.0
  O  O27  1  0.151  0.949  0.621  1.0
[/CIF]
.