The material described by LiMnPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MnO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four 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 four equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), 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_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   10.379
_cell_length_c   6.973
_cell_angle_alpha   90.000
_cell_angle_beta   89.993
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   372.187
_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  0.245  0.151  0.496  1.0
  Li  Li1  1  0.745  0.349  0.996  1.0
  Li  Li2  1  0.245  0.651  0.004  1.0
  Li  Li3  1  0.745  0.849  0.504  1.0
  Mn  Mn4  1  0.244  0.657  0.503  1.0
  Mn  Mn5  1  0.744  0.843  0.003  1.0
  Mn  Mn6  1  0.243  0.157  0.997  1.0
  Mn  Mn7  1  0.744  0.343  0.497  1.0
  P  P8  1  0.750  0.097  0.747  1.0
  P  P9  1  0.250  0.403  0.247  1.0
  P  P10  1  0.750  0.597  0.753  1.0
  P  P11  1  0.250  0.903  0.253  1.0
  O  O12  1  0.198  0.050  0.248  1.0
  O  O13  1  0.698  0.450  0.748  1.0
  O  O14  1  0.198  0.550  0.252  1.0
  O  O15  1  0.698  0.950  0.752  1.0
  O  O16  1  0.048  0.125  0.740  1.0
  O  O17  1  0.548  0.375  0.240  1.0
  O  O18  1  0.048  0.625  0.760  1.0
  O  O19  1  0.548  0.875  0.260  1.0
  O  O20  1  0.620  0.157  0.567  1.0
  O  O21  1  0.120  0.343  0.067  1.0
  O  O22  1  0.620  0.657  0.933  1.0
  O  O23  1  0.120  0.843  0.433  1.0
  O  O24  1  0.640  0.162  0.933  1.0
  O  O25  1  0.141  0.338  0.433  1.0
  O  O26  1  0.641  0.662  0.567  1.0
  O  O27  1  0.141  0.838  0.067  1.0
[/CIF]
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The material described by LiMnPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MnO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four 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 four equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), 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_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   10.379
_cell_length_c   6.973
_cell_angle_alpha   90.000
_cell_angle_beta   89.993
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   372.187
_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  0.245  0.151  0.496  1.0
  Li  Li1  1  0.745  0.349  0.996  1.0
  Li  Li2  1  0.245  0.651  0.004  1.0
  Li  Li3  1  0.745  0.849  0.504  1.0
  Mn  Mn4  1  0.244  0.657  0.503  1.0
  Mn  Mn5  1  0.744  0.843  0.003  1.0
  Mn  Mn6  1  0.243  0.157  0.997  1.0
  Mn  Mn7  1  0.744  0.343  0.497  1.0
  P  P8  1  0.750  0.097  0.747  1.0
  P  P9  1  0.250  0.403  0.247  1.0
  P  P10  1  0.750  0.597  0.753  1.0
  P  P11  1  0.250  0.903  0.253  1.0
  O  O12  1  0.198  0.050  0.248  1.0
  O  O13  1  0.698  0.450  0.748  1.0
  O  O14  1  0.198  0.550  0.252  1.0
  O  O15  1  0.698  0.950  0.752  1.0
  O  O16  1  0.048  0.125  0.740  1.0
  O  O17  1  0.548  0.375  0.240  1.0
  O  O18  1  0.048  0.625  0.760  1.0
  O  O19  1  0.548  0.875  0.260  1.0
  O  O20  1  0.620  0.157  0.567  1.0
  O  O21  1  0.120  0.343  0.067  1.0
  O  O22  1  0.620  0.657  0.933  1.0
  O  O23  1  0.120  0.843  0.433  1.0
  O  O24  1  0.640  0.162  0.933  1.0
  O  O25  1  0.141  0.338  0.433  1.0
  O  O26  1  0.641  0.662  0.567  1.0
  O  O27  1  0.141  0.838  0.067  1.0
[/CIF]
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