The crystal structure described by LiMnPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share corners with five equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 square 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 five equivalent Mn(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 two equivalent Li(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.629
_cell_length_b   5.309
_cell_length_c   7.611
_cell_angle_alpha   90.206
_cell_angle_beta   104.196
_cell_angle_gamma   104.404
_symmetry_Int_Tables_number   1
_cell_volume   175.192
_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  0.726  0.717  0.987  1.0
  Li  Li1  1  0.274  0.283  0.013  1.0
  Mn  Mn2  1  0.054  0.238  0.394  1.0
  Mn  Mn3  1  0.946  0.762  0.606  1.0
  P  P4  1  0.647  0.194  0.743  1.0
  P  P5  1  0.353  0.806  0.257  1.0
  O  O6  1  0.840  0.377  0.629  1.0
  O  O7  1  0.687  0.914  0.381  1.0
  O  O8  1  0.160  0.623  0.371  1.0
  O  O9  1  0.313  0.086  0.619  1.0
  O  O10  1  0.205  0.038  0.203  1.0
  O  O11  1  0.638  0.343  0.914  1.0
  O  O12  1  0.362  0.657  0.086  1.0
  O  O13  1  0.795  0.962  0.797  1.0
[/CIF]
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The crystal structure described by LiMnPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share corners with five equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 square 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 five equivalent Mn(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 two equivalent Li(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.629
_cell_length_b   5.309
_cell_length_c   7.611
_cell_angle_alpha   90.206
_cell_angle_beta   104.196
_cell_angle_gamma   104.404
_symmetry_Int_Tables_number   1
_cell_volume   175.192
_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  0.726  0.717  0.987  1.0
  Li  Li1  1  0.274  0.283  0.013  1.0
  Mn  Mn2  1  0.054  0.238  0.394  1.0
  Mn  Mn3  1  0.946  0.762  0.606  1.0
  P  P4  1  0.647  0.194  0.743  1.0
  P  P5  1  0.353  0.806  0.257  1.0
  O  O6  1  0.840  0.377  0.629  1.0
  O  O7  1  0.687  0.914  0.381  1.0
  O  O8  1  0.160  0.623  0.371  1.0
  O  O9  1  0.313  0.086  0.619  1.0
  O  O10  1  0.205  0.038  0.203  1.0
  O  O11  1  0.638  0.343  0.914  1.0
  O  O12  1  0.362  0.657  0.086  1.0
  O  O13  1  0.795  0.962  0.797  1.0
[/CIF]
.