The material structure described by LiMnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids and corners with four equivalent Mn(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped 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 Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), 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   6.012
_cell_length_b   6.680
_cell_length_c   9.635
_cell_angle_alpha   72.927
_cell_angle_beta   97.600
_cell_angle_gamma   101.158
_symmetry_Int_Tables_number   1
_cell_volume   361.691
_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  0.598  0.195  0.281  1.0
  Li  Li1  1  0.402  0.805  0.719  1.0
  Li  Li2  1  0.432  0.338  0.679  1.0
  Li  Li3  1  0.568  0.662  0.321  1.0
  Mn  Mn4  1  0.014  0.934  0.283  1.0
  Mn  Mn5  1  0.795  0.354  0.930  1.0
  Mn  Mn6  1  0.986  0.066  0.717  1.0
  Mn  Mn7  1  0.205  0.645  0.070  1.0
  P  P8  1  0.163  0.293  0.387  1.0
  P  P9  1  0.837  0.707  0.613  1.0
  P  P10  1  0.289  0.183  0.012  1.0
  P  P11  1  0.711  0.817  0.988  1.0
  O  O12  1  0.533  0.263  0.069  1.0
  O  O13  1  0.467  0.737  0.931  1.0
  O  O14  1  0.310  0.135  0.368  1.0
  O  O15  1  0.690  0.865  0.632  1.0
  O  O16  1  0.917  0.217  0.329  1.0
  O  O17  1  0.083  0.783  0.671  1.0
  O  O18  1  0.790  0.047  0.891  1.0
  O  O19  1  0.210  0.954  0.109  1.0
  O  O20  1  0.127  0.330  0.030  1.0
  O  O21  1  0.873  0.670  0.970  1.0
  O  O22  1  0.174  0.289  0.550  1.0
  O  O23  1  0.826  0.711  0.450  1.0
  O  O24  1  0.282  0.185  0.850  1.0
  O  O25  1  0.718  0.815  0.150  1.0
  O  O26  1  0.738  0.476  0.700  1.0
  O  O27  1  0.262  0.524  0.300  1.0
[/CIF]
.
The material structure described by LiMnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids and corners with four equivalent Mn(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped 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 Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), 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   6.012
_cell_length_b   6.680
_cell_length_c   9.635
_cell_angle_alpha   72.927
_cell_angle_beta   97.600
_cell_angle_gamma   101.158
_symmetry_Int_Tables_number   1
_cell_volume   361.691
_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  0.598  0.195  0.281  1.0
  Li  Li1  1  0.402  0.805  0.719  1.0
  Li  Li2  1  0.432  0.338  0.679  1.0
  Li  Li3  1  0.568  0.662  0.321  1.0
  Mn  Mn4  1  0.014  0.934  0.283  1.0
  Mn  Mn5  1  0.795  0.354  0.930  1.0
  Mn  Mn6  1  0.986  0.066  0.717  1.0
  Mn  Mn7  1  0.205  0.645  0.070  1.0
  P  P8  1  0.163  0.293  0.387  1.0
  P  P9  1  0.837  0.707  0.613  1.0
  P  P10  1  0.289  0.183  0.012  1.0
  P  P11  1  0.711  0.817  0.988  1.0
  O  O12  1  0.533  0.263  0.069  1.0
  O  O13  1  0.467  0.737  0.931  1.0
  O  O14  1  0.310  0.135  0.368  1.0
  O  O15  1  0.690  0.865  0.632  1.0
  O  O16  1  0.917  0.217  0.329  1.0
  O  O17  1  0.083  0.783  0.671  1.0
  O  O18  1  0.790  0.047  0.891  1.0
  O  O19  1  0.210  0.954  0.109  1.0
  O  O20  1  0.127  0.330  0.030  1.0
  O  O21  1  0.873  0.670  0.970  1.0
  O  O22  1  0.174  0.289  0.550  1.0
  O  O23  1  0.826  0.711  0.450  1.0
  O  O24  1  0.282  0.185  0.850  1.0
  O  O25  1  0.718  0.815  0.150  1.0
  O  O26  1  0.738  0.476  0.700  1.0
  O  O27  1  0.262  0.524  0.300  1.0
[/CIF]
.