The structure described by LiMnPO4 crystallizes in the cubic P2_13 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. Mn(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.268
_cell_length_b   7.268
_cell_length_c   7.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.907
_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  0.203  0.703  0.797  1.0
  Li  Li1  1  0.297  0.297  0.297  1.0
  Li  Li2  1  0.703  0.797  0.203  1.0
  Li  Li3  1  0.797  0.203  0.703  1.0
  Mn  Mn4  1  0.256  0.744  0.244  1.0
  Mn  Mn5  1  0.244  0.256  0.744  1.0
  Mn  Mn6  1  0.756  0.756  0.756  1.0
  Mn  Mn7  1  0.744  0.244  0.256  1.0
  P  P8  1  0.029  0.029  0.029  1.0
  P  P9  1  0.971  0.529  0.471  1.0
  P  P10  1  0.471  0.971  0.529  1.0
  P  P11  1  0.529  0.471  0.971  1.0
  O  O12  1  0.979  0.603  0.674  1.0
  O  O13  1  0.149  0.149  0.149  1.0
  O  O14  1  0.174  0.521  0.397  1.0
  O  O15  1  0.103  0.826  0.021  1.0
  O  O16  1  0.397  0.174  0.521  1.0
  O  O17  1  0.326  0.479  0.897  1.0
  O  O18  1  0.351  0.851  0.649  1.0
  O  O19  1  0.521  0.397  0.174  1.0
  O  O20  1  0.479  0.897  0.326  1.0
  O  O21  1  0.649  0.351  0.851  1.0
  O  O22  1  0.674  0.979  0.603  1.0
  O  O23  1  0.603  0.674  0.979  1.0
  O  O24  1  0.897  0.326  0.479  1.0
  O  O25  1  0.826  0.021  0.103  1.0
  O  O26  1  0.851  0.649  0.351  1.0
  O  O27  1  0.021  0.103  0.826  1.0
[/CIF]
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The structure described by LiMnPO4 crystallizes in the cubic P2_13 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. Mn(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.268
_cell_length_b   7.268
_cell_length_c   7.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.907
_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  0.203  0.703  0.797  1.0
  Li  Li1  1  0.297  0.297  0.297  1.0
  Li  Li2  1  0.703  0.797  0.203  1.0
  Li  Li3  1  0.797  0.203  0.703  1.0
  Mn  Mn4  1  0.256  0.744  0.244  1.0
  Mn  Mn5  1  0.244  0.256  0.744  1.0
  Mn  Mn6  1  0.756  0.756  0.756  1.0
  Mn  Mn7  1  0.744  0.244  0.256  1.0
  P  P8  1  0.029  0.029  0.029  1.0
  P  P9  1  0.971  0.529  0.471  1.0
  P  P10  1  0.471  0.971  0.529  1.0
  P  P11  1  0.529  0.471  0.971  1.0
  O  O12  1  0.979  0.603  0.674  1.0
  O  O13  1  0.149  0.149  0.149  1.0
  O  O14  1  0.174  0.521  0.397  1.0
  O  O15  1  0.103  0.826  0.021  1.0
  O  O16  1  0.397  0.174  0.521  1.0
  O  O17  1  0.326  0.479  0.897  1.0
  O  O18  1  0.351  0.851  0.649  1.0
  O  O19  1  0.521  0.397  0.174  1.0
  O  O20  1  0.479  0.897  0.326  1.0
  O  O21  1  0.649  0.351  0.851  1.0
  O  O22  1  0.674  0.979  0.603  1.0
  O  O23  1  0.603  0.674  0.979  1.0
  O  O24  1  0.897  0.326  0.479  1.0
  O  O25  1  0.826  0.021  0.103  1.0
  O  O26  1  0.851  0.649  0.351  1.0
  O  O27  1  0.021  0.103  0.826  1.0
[/CIF]
.