The crystal structure described by LiMnPO4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MnO4 tetrahedra that share corners with four equivalent 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 four equivalent Mn(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 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   5.237
_cell_length_b   5.237
_cell_length_c   9.709
_cell_angle_alpha   90.012
_cell_angle_beta   89.973
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   230.629
_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  0.000  0.000  0.765  1.0
  Li  Li1  1  0.000  1.000  0.265  1.0
  Mn  Mn2  1  0.333  0.334  0.877  1.0
  Mn  Mn3  1  0.667  0.667  0.377  1.0
  O  O4  1  0.333  0.333  0.082  1.0
  O  O5  1  0.667  0.666  0.582  1.0
  O  O6  1  0.618  0.323  0.295  1.0
  O  O7  1  0.058  0.618  0.296  1.0
  O  O8  1  0.676  0.942  0.795  1.0
  O  O9  1  0.324  0.058  0.296  1.0
  O  O10  1  0.941  0.382  0.796  1.0
  O  O11  1  0.382  0.677  0.796  1.0
  P  P12  1  0.333  0.333  0.240  1.0
  P  P13  1  0.667  0.667  0.740  1.0
[/CIF]
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The crystal structure described by LiMnPO4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MnO4 tetrahedra that share corners with four equivalent 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 four equivalent Mn(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 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   5.237
_cell_length_b   5.237
_cell_length_c   9.709
_cell_angle_alpha   90.012
_cell_angle_beta   89.973
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   230.629
_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  0.000  0.000  0.765  1.0
  Li  Li1  1  0.000  1.000  0.265  1.0
  Mn  Mn2  1  0.333  0.334  0.877  1.0
  Mn  Mn3  1  0.667  0.667  0.377  1.0
  O  O4  1  0.333  0.333  0.082  1.0
  O  O5  1  0.667  0.666  0.582  1.0
  O  O6  1  0.618  0.323  0.295  1.0
  O  O7  1  0.058  0.618  0.296  1.0
  O  O8  1  0.676  0.942  0.795  1.0
  O  O9  1  0.324  0.058  0.296  1.0
  O  O10  1  0.941  0.382  0.796  1.0
  O  O11  1  0.382  0.677  0.796  1.0
  P  P12  1  0.333  0.333  0.240  1.0
  P  P13  1  0.667  0.667  0.740  1.0
[/CIF]
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