The material structure described by LiMnPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(8), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(7), and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form distorted MnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. 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(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   8.505
_cell_length_c   7.950
_cell_angle_alpha   101.521
_cell_angle_beta   90.007
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   330.974
_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  0.031  0.543  0.137  1.0
  Li  Li1  1  0.531  0.457  0.863  1.0
  Li  Li2  1  0.963  0.957  0.657  1.0
  Li  Li3  1  0.463  0.043  0.343  1.0
  Mn  Mn4  1  0.981  0.178  0.031  1.0
  Mn  Mn5  1  0.481  0.822  0.969  1.0
  Mn  Mn6  1  0.398  0.725  0.488  1.0
  Mn  Mn7  1  0.899  0.275  0.512  1.0
  P  P8  1  0.542  0.380  0.229  1.0
  P  P9  1  0.042  0.621  0.771  1.0
  P  P10  1  0.993  0.902  0.260  1.0
  P  P11  1  0.493  0.098  0.740  1.0
  O  O12  1  0.150  0.964  0.115  1.0
  O  O13  1  0.650  0.036  0.886  1.0
  O  O14  1  0.096  0.475  0.626  1.0
  O  O15  1  0.596  0.526  0.374  1.0
  O  O16  1  0.210  0.604  0.932  1.0
  O  O17  1  0.710  0.396  0.068  1.0
  O  O18  1  0.696  0.873  0.210  1.0
  O  O19  1  0.196  0.127  0.790  1.0
  O  O20  1  0.535  0.966  0.574  1.0
  O  O21  1  0.035  0.034  0.426  1.0
  O  O22  1  0.741  0.645  0.815  1.0
  O  O23  1  0.241  0.355  0.185  1.0
  O  O24  1  0.156  0.773  0.711  1.0
  O  O25  1  0.656  0.227  0.290  1.0
  O  O26  1  0.620  0.254  0.705  1.0
  O  O27  1  0.120  0.746  0.295  1.0
[/CIF]
.
The material structure described by LiMnPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(8), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(7), and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form distorted MnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. 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(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.996
_cell_length_b   8.505
_cell_length_c   7.950
_cell_angle_alpha   101.521
_cell_angle_beta   90.007
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   330.974
_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  0.031  0.543  0.137  1.0
  Li  Li1  1  0.531  0.457  0.863  1.0
  Li  Li2  1  0.963  0.957  0.657  1.0
  Li  Li3  1  0.463  0.043  0.343  1.0
  Mn  Mn4  1  0.981  0.178  0.031  1.0
  Mn  Mn5  1  0.481  0.822  0.969  1.0
  Mn  Mn6  1  0.398  0.725  0.488  1.0
  Mn  Mn7  1  0.899  0.275  0.512  1.0
  P  P8  1  0.542  0.380  0.229  1.0
  P  P9  1  0.042  0.621  0.771  1.0
  P  P10  1  0.993  0.902  0.260  1.0
  P  P11  1  0.493  0.098  0.740  1.0
  O  O12  1  0.150  0.964  0.115  1.0
  O  O13  1  0.650  0.036  0.886  1.0
  O  O14  1  0.096  0.475  0.626  1.0
  O  O15  1  0.596  0.526  0.374  1.0
  O  O16  1  0.210  0.604  0.932  1.0
  O  O17  1  0.710  0.396  0.068  1.0
  O  O18  1  0.696  0.873  0.210  1.0
  O  O19  1  0.196  0.127  0.790  1.0
  O  O20  1  0.535  0.966  0.574  1.0
  O  O21  1  0.035  0.034  0.426  1.0
  O  O22  1  0.741  0.645  0.815  1.0
  O  O23  1  0.241  0.355  0.185  1.0
  O  O24  1  0.156  0.773  0.711  1.0
  O  O25  1  0.656  0.227  0.290  1.0
  O  O26  1  0.620  0.254  0.705  1.0
  O  O27  1  0.120  0.746  0.295  1.0
[/CIF]
.