The compound described by LiMnPO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-72°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, edges with three equivalent Li(1)O4 trigonal pyramids, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Li(1)O4 trigonal pyramids, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. 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 two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), 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   8.598
_cell_length_b   8.598
_cell_length_c   7.489
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.419
_cell_formula_units_Z   6
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  0.016  0.680  0.414  1.0
  Li  Li1  1  0.320  0.337  0.414  1.0
  Li  Li2  1  0.663  0.984  0.414  1.0
  Li  Li3  1  0.337  0.016  0.914  1.0
  Li  Li4  1  0.680  0.663  0.914  1.0
  Li  Li5  1  0.984  0.320  0.914  1.0
  Mn  Mn6  1  0.333  0.667  0.275  1.0
  Mn  Mn7  1  0.333  0.667  0.699  1.0
  Mn  Mn8  1  0.000  0.000  0.193  1.0
  Mn  Mn9  1  0.000  0.000  0.693  1.0
  Mn  Mn10  1  0.667  0.333  0.775  1.0
  Mn  Mn11  1  0.667  0.333  0.199  1.0
  P  P12  1  0.034  0.685  0.000  1.0
  P  P13  1  0.315  0.349  0.000  1.0
  P  P14  1  0.651  0.966  0.000  1.0
  P  P15  1  0.349  0.034  0.500  1.0
  P  P16  1  0.685  0.651  0.500  1.0
  P  P17  1  0.966  0.315  0.500  1.0
  O  O18  1  0.139  0.931  0.493  1.0
  O  O19  1  0.136  0.728  0.180  1.0
  O  O20  1  0.173  0.751  0.847  1.0
  O  O21  1  0.108  0.520  0.488  1.0
  O  O22  1  0.413  0.892  0.488  1.0
  O  O23  1  0.069  0.207  0.493  1.0
  O  O24  1  0.249  0.422  0.847  1.0
  O  O25  1  0.272  0.409  0.180  1.0
  O  O26  1  0.207  0.139  0.993  1.0
  O  O27  1  0.591  0.864  0.180  1.0
  O  O28  1  0.578  0.827  0.847  1.0
  O  O29  1  0.480  0.587  0.488  1.0
  O  O30  1  0.520  0.413  0.988  1.0
  O  O31  1  0.422  0.173  0.347  1.0
  O  O32  1  0.409  0.136  0.680  1.0
  O  O33  1  0.793  0.861  0.493  1.0
  O  O34  1  0.728  0.591  0.680  1.0
  O  O35  1  0.751  0.578  0.347  1.0
  O  O36  1  0.931  0.793  0.993  1.0
  O  O37  1  0.587  0.108  0.988  1.0
  O  O38  1  0.892  0.480  0.988  1.0
  O  O39  1  0.827  0.249  0.347  1.0
  O  O40  1  0.864  0.272  0.680  1.0
  O  O41  1  0.861  0.069  0.993  1.0
[/CIF]
.
The compound described by LiMnPO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-72°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, edges with three equivalent Li(1)O4 trigonal pyramids, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Li(1)O4 trigonal pyramids, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. 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 two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), 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   8.598
_cell_length_b   8.598
_cell_length_c   7.489
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.419
_cell_formula_units_Z   6
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  0.016  0.680  0.414  1.0
  Li  Li1  1  0.320  0.337  0.414  1.0
  Li  Li2  1  0.663  0.984  0.414  1.0
  Li  Li3  1  0.337  0.016  0.914  1.0
  Li  Li4  1  0.680  0.663  0.914  1.0
  Li  Li5  1  0.984  0.320  0.914  1.0
  Mn  Mn6  1  0.333  0.667  0.275  1.0
  Mn  Mn7  1  0.333  0.667  0.699  1.0
  Mn  Mn8  1  0.000  0.000  0.193  1.0
  Mn  Mn9  1  0.000  0.000  0.693  1.0
  Mn  Mn10  1  0.667  0.333  0.775  1.0
  Mn  Mn11  1  0.667  0.333  0.199  1.0
  P  P12  1  0.034  0.685  0.000  1.0
  P  P13  1  0.315  0.349  0.000  1.0
  P  P14  1  0.651  0.966  0.000  1.0
  P  P15  1  0.349  0.034  0.500  1.0
  P  P16  1  0.685  0.651  0.500  1.0
  P  P17  1  0.966  0.315  0.500  1.0
  O  O18  1  0.139  0.931  0.493  1.0
  O  O19  1  0.136  0.728  0.180  1.0
  O  O20  1  0.173  0.751  0.847  1.0
  O  O21  1  0.108  0.520  0.488  1.0
  O  O22  1  0.413  0.892  0.488  1.0
  O  O23  1  0.069  0.207  0.493  1.0
  O  O24  1  0.249  0.422  0.847  1.0
  O  O25  1  0.272  0.409  0.180  1.0
  O  O26  1  0.207  0.139  0.993  1.0
  O  O27  1  0.591  0.864  0.180  1.0
  O  O28  1  0.578  0.827  0.847  1.0
  O  O29  1  0.480  0.587  0.488  1.0
  O  O30  1  0.520  0.413  0.988  1.0
  O  O31  1  0.422  0.173  0.347  1.0
  O  O32  1  0.409  0.136  0.680  1.0
  O  O33  1  0.793  0.861  0.493  1.0
  O  O34  1  0.728  0.591  0.680  1.0
  O  O35  1  0.751  0.578  0.347  1.0
  O  O36  1  0.931  0.793  0.993  1.0
  O  O37  1  0.587  0.108  0.988  1.0
  O  O38  1  0.892  0.480  0.988  1.0
  O  O39  1  0.827  0.249  0.347  1.0
  O  O40  1  0.864  0.272  0.680  1.0
  O  O41  1  0.861  0.069  0.993  1.0
[/CIF]
.