The compound described by LiMnPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one 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)O5 trigonal bipyramids and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to 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   8.604
_cell_length_b   5.310
_cell_length_c   8.111
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.557
_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  0.196  0.338  0.536  1.0
  Li  Li1  1  0.304  0.338  0.036  1.0
  Li  Li2  1  0.696  0.838  0.964  1.0
  Li  Li3  1  0.804  0.838  0.464  1.0
  Mn  Mn4  1  0.059  0.969  0.827  1.0
  Mn  Mn5  1  0.441  0.969  0.327  1.0
  Mn  Mn6  1  0.559  0.469  0.673  1.0
  Mn  Mn7  1  0.941  0.469  0.173  1.0
  P  P8  1  0.075  0.006  0.249  1.0
  P  P9  1  0.425  0.006  0.749  1.0
  P  P10  1  0.575  0.506  0.251  1.0
  P  P11  1  0.925  0.506  0.751  1.0
  O  O12  1  0.059  0.238  0.364  1.0
  O  O13  1  0.074  0.340  0.740  1.0
  O  O14  1  0.084  0.136  0.071  1.0
  O  O15  1  0.218  0.842  0.280  1.0
  O  O16  1  0.282  0.842  0.780  1.0
  O  O17  1  0.416  0.136  0.571  1.0
  O  O18  1  0.426  0.340  0.240  1.0
  O  O19  1  0.441  0.238  0.864  1.0
  O  O20  1  0.559  0.738  0.136  1.0
  O  O21  1  0.574  0.840  0.760  1.0
  O  O22  1  0.584  0.636  0.429  1.0
  O  O23  1  0.718  0.342  0.220  1.0
  O  O24  1  0.782  0.342  0.720  1.0
  O  O25  1  0.916  0.636  0.929  1.0
  O  O26  1  0.926  0.840  0.260  1.0
  O  O27  1  0.941  0.738  0.636  1.0
[/CIF]
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The compound described by LiMnPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one 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)O5 trigonal bipyramids and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to 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   8.604
_cell_length_b   5.310
_cell_length_c   8.111
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.557
_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  0.196  0.338  0.536  1.0
  Li  Li1  1  0.304  0.338  0.036  1.0
  Li  Li2  1  0.696  0.838  0.964  1.0
  Li  Li3  1  0.804  0.838  0.464  1.0
  Mn  Mn4  1  0.059  0.969  0.827  1.0
  Mn  Mn5  1  0.441  0.969  0.327  1.0
  Mn  Mn6  1  0.559  0.469  0.673  1.0
  Mn  Mn7  1  0.941  0.469  0.173  1.0
  P  P8  1  0.075  0.006  0.249  1.0
  P  P9  1  0.425  0.006  0.749  1.0
  P  P10  1  0.575  0.506  0.251  1.0
  P  P11  1  0.925  0.506  0.751  1.0
  O  O12  1  0.059  0.238  0.364  1.0
  O  O13  1  0.074  0.340  0.740  1.0
  O  O14  1  0.084  0.136  0.071  1.0
  O  O15  1  0.218  0.842  0.280  1.0
  O  O16  1  0.282  0.842  0.780  1.0
  O  O17  1  0.416  0.136  0.571  1.0
  O  O18  1  0.426  0.340  0.240  1.0
  O  O19  1  0.441  0.238  0.864  1.0
  O  O20  1  0.559  0.738  0.136  1.0
  O  O21  1  0.574  0.840  0.760  1.0
  O  O22  1  0.584  0.636  0.429  1.0
  O  O23  1  0.718  0.342  0.220  1.0
  O  O24  1  0.782  0.342  0.720  1.0
  O  O25  1  0.916  0.636  0.929  1.0
  O  O26  1  0.926  0.840  0.260  1.0
  O  O27  1  0.941  0.738  0.636  1.0
[/CIF]
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