The structure described by LiMnPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the third O site, O(3) is bonded in a distorted 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 linear geometry to 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   8.230
_cell_length_b   5.108
_cell_length_c   10.674
_cell_angle_alpha   62.605
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.333
_cell_formula_units_Z   4
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  0.046  0.057  0.625  1.0
  Li  Li1  1  0.546  0.943  0.875  1.0
  Li  Li2  1  0.454  0.057  0.125  1.0
  Li  Li3  1  0.954  0.943  0.375  1.0
  Mn  Mn4  1  0.327  0.332  0.409  1.0
  Mn  Mn5  1  0.827  0.668  0.091  1.0
  Mn  Mn6  1  0.173  0.332  0.909  1.0
  Mn  Mn7  1  0.673  0.668  0.591  1.0
  P  P8  1  0.256  0.684  0.070  1.0
  P  P9  1  0.756  0.316  0.430  1.0
  P  P10  1  0.244  0.684  0.570  1.0
  P  P11  1  0.744  0.316  0.930  1.0
  O  O12  1  0.187  0.407  0.557  1.0
  O  O13  1  0.329  0.971  0.945  1.0
  O  O14  1  0.321  0.680  0.207  1.0
  O  O15  1  0.570  0.294  0.441  1.0
  O  O16  1  0.070  0.706  0.059  1.0
  O  O17  1  0.821  0.320  0.293  1.0
  O  O18  1  0.829  0.029  0.555  1.0
  O  O19  1  0.687  0.593  0.943  1.0
  O  O20  1  0.313  0.407  0.057  1.0
  O  O21  1  0.171  0.971  0.445  1.0
  O  O22  1  0.179  0.680  0.707  1.0
  O  O23  1  0.930  0.294  0.941  1.0
  O  O24  1  0.430  0.706  0.559  1.0
  O  O25  1  0.679  0.320  0.793  1.0
  O  O26  1  0.671  0.029  0.055  1.0
  O  O27  1  0.813  0.593  0.443  1.0
[/CIF]
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The structure described by LiMnPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the third O site, O(3) is bonded in a distorted 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 linear geometry to 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   8.230
_cell_length_b   5.108
_cell_length_c   10.674
_cell_angle_alpha   62.605
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.333
_cell_formula_units_Z   4
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  0.046  0.057  0.625  1.0
  Li  Li1  1  0.546  0.943  0.875  1.0
  Li  Li2  1  0.454  0.057  0.125  1.0
  Li  Li3  1  0.954  0.943  0.375  1.0
  Mn  Mn4  1  0.327  0.332  0.409  1.0
  Mn  Mn5  1  0.827  0.668  0.091  1.0
  Mn  Mn6  1  0.173  0.332  0.909  1.0
  Mn  Mn7  1  0.673  0.668  0.591  1.0
  P  P8  1  0.256  0.684  0.070  1.0
  P  P9  1  0.756  0.316  0.430  1.0
  P  P10  1  0.244  0.684  0.570  1.0
  P  P11  1  0.744  0.316  0.930  1.0
  O  O12  1  0.187  0.407  0.557  1.0
  O  O13  1  0.329  0.971  0.945  1.0
  O  O14  1  0.321  0.680  0.207  1.0
  O  O15  1  0.570  0.294  0.441  1.0
  O  O16  1  0.070  0.706  0.059  1.0
  O  O17  1  0.821  0.320  0.293  1.0
  O  O18  1  0.829  0.029  0.555  1.0
  O  O19  1  0.687  0.593  0.943  1.0
  O  O20  1  0.313  0.407  0.057  1.0
  O  O21  1  0.171  0.971  0.445  1.0
  O  O22  1  0.179  0.680  0.707  1.0
  O  O23  1  0.930  0.294  0.941  1.0
  O  O24  1  0.430  0.706  0.559  1.0
  O  O25  1  0.679  0.320  0.793  1.0
  O  O26  1  0.671  0.029  0.055  1.0
  O  O27  1  0.813  0.593  0.443  1.0
[/CIF]
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