The material structure described by LiMnPO4 crystallizes in the hexagonal P6_222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mn(1) is bonded to four equivalent O(1) atoms to form distorted MnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(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   5.311
_cell_length_b   5.311
_cell_length_c   13.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.513
_cell_formula_units_Z   3
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  0.000  1.000  0.833  1.0
  Li  Li1  1  1.000  1.000  0.500  1.0
  Li  Li2  1  1.000  1.000  0.167  1.0
  Mn  Mn3  1  0.500  0.000  0.333  1.0
  Mn  Mn4  1  0.500  0.500  0.667  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.225  0.819  0.898  1.0
  O  O7  1  0.181  0.775  0.435  1.0
  O  O8  1  0.595  0.819  0.769  1.0
  O  O9  1  0.595  0.775  0.231  1.0
  O  O10  1  0.181  0.405  0.565  1.0
  O  O11  1  0.225  0.405  0.102  1.0
  O  O12  1  0.819  0.595  0.565  1.0
  O  O13  1  0.775  0.595  0.102  1.0
  O  O14  1  0.405  0.181  0.769  1.0
  O  O15  1  0.405  0.225  0.231  1.0
  O  O16  1  0.775  0.181  0.898  1.0
  O  O17  1  0.819  0.225  0.435  1.0
  P  P18  1  0.500  0.000  0.833  1.0
  P  P19  1  0.500  0.500  0.167  1.0
  P  P20  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LiMnPO4 crystallizes in the hexagonal P6_222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mn(1) is bonded to four equivalent O(1) atoms to form distorted MnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(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   5.311
_cell_length_b   5.311
_cell_length_c   13.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.513
_cell_formula_units_Z   3
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  0.000  1.000  0.833  1.0
  Li  Li1  1  1.000  1.000  0.500  1.0
  Li  Li2  1  1.000  1.000  0.167  1.0
  Mn  Mn3  1  0.500  0.000  0.333  1.0
  Mn  Mn4  1  0.500  0.500  0.667  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.225  0.819  0.898  1.0
  O  O7  1  0.181  0.775  0.435  1.0
  O  O8  1  0.595  0.819  0.769  1.0
  O  O9  1  0.595  0.775  0.231  1.0
  O  O10  1  0.181  0.405  0.565  1.0
  O  O11  1  0.225  0.405  0.102  1.0
  O  O12  1  0.819  0.595  0.565  1.0
  O  O13  1  0.775  0.595  0.102  1.0
  O  O14  1  0.405  0.181  0.769  1.0
  O  O15  1  0.405  0.225  0.231  1.0
  O  O16  1  0.775  0.181  0.898  1.0
  O  O17  1  0.819  0.225  0.435  1.0
  P  P18  1  0.500  0.000  0.833  1.0
  P  P19  1  0.500  0.500  0.167  1.0
  P  P20  1  0.000  0.500  0.500  1.0
[/CIF]
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