The material structure described by LiMnPO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent 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   7.378
_cell_length_b   6.349
_cell_length_c   5.544
_cell_angle_alpha   76.350
_cell_angle_beta   56.750
_cell_angle_gamma   46.900
_symmetry_Int_Tables_number   1
_cell_volume   154.432
_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  0.315  0.185  0.315  1.0
  Li  Li1  1  0.065  0.935  0.065  1.0
  Mn  Mn2  1  0.938  0.562  0.938  1.0
  Mn  Mn3  1  0.688  0.312  0.688  1.0
  P  P4  1  0.371  0.629  0.371  1.0
  P  P5  1  0.621  0.879  0.621  1.0
  O  O6  1  0.699  0.455  0.252  1.0
  O  O7  1  0.186  0.962  0.364  1.0
  O  O8  1  0.288  0.064  0.761  1.0
  O  O9  1  0.795  0.551  0.657  1.0
  O  O10  1  0.252  0.593  0.699  1.0
  O  O11  1  0.364  0.489  0.186  1.0
  O  O12  1  0.657  0.998  0.795  1.0
  O  O13  1  0.761  0.886  0.288  1.0
[/CIF]
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The material structure described by LiMnPO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent 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   7.378
_cell_length_b   6.349
_cell_length_c   5.544
_cell_angle_alpha   76.350
_cell_angle_beta   56.750
_cell_angle_gamma   46.900
_symmetry_Int_Tables_number   1
_cell_volume   154.432
_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  0.315  0.185  0.315  1.0
  Li  Li1  1  0.065  0.935  0.065  1.0
  Mn  Mn2  1  0.938  0.562  0.938  1.0
  Mn  Mn3  1  0.688  0.312  0.688  1.0
  P  P4  1  0.371  0.629  0.371  1.0
  P  P5  1  0.621  0.879  0.621  1.0
  O  O6  1  0.699  0.455  0.252  1.0
  O  O7  1  0.186  0.962  0.364  1.0
  O  O8  1  0.288  0.064  0.761  1.0
  O  O9  1  0.795  0.551  0.657  1.0
  O  O10  1  0.252  0.593  0.699  1.0
  O  O11  1  0.364  0.489  0.186  1.0
  O  O12  1  0.657  0.998  0.795  1.0
  O  O13  1  0.761  0.886  0.288  1.0
[/CIF]
.