The structure described by LiMnPO4 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 pentagonal pyramids. 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)O6 pentagonal pyramids and corners with three equivalent Mn(2)O6 pentagonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted corner-sharing OLiMn2P tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), 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 Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.917
_cell_length_b   5.417
_cell_length_c   6.480
_cell_angle_alpha   89.798
_cell_angle_beta   89.999
_cell_angle_gamma   117.000
_symmetry_Int_Tables_number   1
_cell_volume   153.787
_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  0.333  0.650  0.749  1.0
  Li  Li1  1  0.684  0.350  0.251  1.0
  Mn  Mn2  1  0.990  0.000  1.000  1.0
  Mn  Mn3  1  0.989  1.000  0.500  1.0
  P  P4  1  0.318  0.627  0.249  1.0
  P  P5  1  0.691  0.373  0.751  1.0
  O  O6  1  0.899  0.701  0.750  1.0
  O  O7  1  0.198  0.299  0.250  1.0
  O  O8  1  0.056  0.718  0.249  1.0
  O  O9  1  0.338  0.282  0.751  1.0
  O  O10  1  0.506  0.734  0.447  1.0
  O  O11  1  0.505  0.732  0.050  1.0
  O  O12  1  0.773  0.268  0.950  1.0
  O  O13  1  0.772  0.266  0.553  1.0
[/CIF]
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The structure described by LiMnPO4 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 pentagonal pyramids. 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)O6 pentagonal pyramids and corners with three equivalent Mn(2)O6 pentagonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted corner-sharing OLiMn2P tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), 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 Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.917
_cell_length_b   5.417
_cell_length_c   6.480
_cell_angle_alpha   89.798
_cell_angle_beta   89.999
_cell_angle_gamma   117.000
_symmetry_Int_Tables_number   1
_cell_volume   153.787
_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  0.333  0.650  0.749  1.0
  Li  Li1  1  0.684  0.350  0.251  1.0
  Mn  Mn2  1  0.990  0.000  1.000  1.0
  Mn  Mn3  1  0.989  1.000  0.500  1.0
  P  P4  1  0.318  0.627  0.249  1.0
  P  P5  1  0.691  0.373  0.751  1.0
  O  O6  1  0.899  0.701  0.750  1.0
  O  O7  1  0.198  0.299  0.250  1.0
  O  O8  1  0.056  0.718  0.249  1.0
  O  O9  1  0.338  0.282  0.751  1.0
  O  O10  1  0.506  0.734  0.447  1.0
  O  O11  1  0.505  0.732  0.050  1.0
  O  O12  1  0.773  0.268  0.950  1.0
  O  O13  1  0.772  0.266  0.553  1.0
[/CIF]
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