The crystal structure described by LiMnPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   5.534
_cell_length_c   6.680
_cell_angle_alpha   103.172
_cell_angle_beta   90.063
_cell_angle_gamma   116.748
_symmetry_Int_Tables_number   1
_cell_volume   159.445
_cell_formula_units_Z   2
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  0.060  0.999  0.501  1.0
  Li  Li1  1  0.032  0.999  0.001  1.0
  Mn  Mn2  1  0.643  0.291  0.727  1.0
  Mn  Mn3  1  0.350  0.706  0.276  1.0
  O  O4  1  0.084  0.335  0.673  1.0
  O  O5  1  0.473  0.163  0.376  1.0
  O  O6  1  0.479  0.269  0.020  1.0
  O  O7  1  0.953  0.308  0.206  1.0
  O  O8  1  0.643  0.689  0.797  1.0
  O  O9  1  0.209  0.729  0.983  1.0
  O  O10  1  0.307  0.834  0.627  1.0
  O  O11  1  0.748  0.662  0.330  1.0
  P  P12  1  0.666  0.348  0.230  1.0
  P  P13  1  0.316  0.649  0.773  1.0
[/CIF]
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The crystal structure described by LiMnPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   5.534
_cell_length_c   6.680
_cell_angle_alpha   103.172
_cell_angle_beta   90.063
_cell_angle_gamma   116.748
_symmetry_Int_Tables_number   1
_cell_volume   159.445
_cell_formula_units_Z   2
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  0.060  0.999  0.501  1.0
  Li  Li1  1  0.032  0.999  0.001  1.0
  Mn  Mn2  1  0.643  0.291  0.727  1.0
  Mn  Mn3  1  0.350  0.706  0.276  1.0
  O  O4  1  0.084  0.335  0.673  1.0
  O  O5  1  0.473  0.163  0.376  1.0
  O  O6  1  0.479  0.269  0.020  1.0
  O  O7  1  0.953  0.308  0.206  1.0
  O  O8  1  0.643  0.689  0.797  1.0
  O  O9  1  0.209  0.729  0.983  1.0
  O  O10  1  0.307  0.834  0.627  1.0
  O  O11  1  0.748  0.662  0.330  1.0
  P  P12  1  0.666  0.348  0.230  1.0
  P  P13  1  0.316  0.649  0.773  1.0
[/CIF]
.