The material structure described by LiMn2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(5) 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(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiMn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.498
_cell_length_b   8.498
_cell_length_c   6.188
_cell_angle_alpha   74.246
_cell_angle_beta   74.246
_cell_angle_gamma   91.721
_symmetry_Int_Tables_number   1
_cell_volume   411.307
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.059  0.380  0.363  1.0
  Mn  Mn3  1  0.380  0.059  0.863  1.0
  Mn  Mn4  1  0.620  0.941  0.137  1.0
  Mn  Mn5  1  0.941  0.620  0.637  1.0
  P  P6  1  0.724  0.276  0.750  1.0
  P  P7  1  0.839  0.648  0.141  1.0
  P  P8  1  0.648  0.839  0.641  1.0
  P  P9  1  0.352  0.161  0.359  1.0
  P  P10  1  0.276  0.724  0.250  1.0
  P  P11  1  0.161  0.352  0.859  1.0
  O  O12  1  0.969  0.644  0.910  1.0
  O  O13  1  0.941  0.590  0.330  1.0
  O  O14  1  0.851  0.257  0.526  1.0
  O  O15  1  0.743  0.149  0.974  1.0
  O  O16  1  0.031  0.356  0.090  1.0
  O  O17  1  0.059  0.410  0.670  1.0
  O  O18  1  0.149  0.743  0.474  1.0
  O  O19  1  0.257  0.851  0.026  1.0
  O  O20  1  0.167  0.189  0.392  1.0
  O  O21  1  0.253  0.546  0.226  1.0
  O  O22  1  0.189  0.167  0.892  1.0
  O  O23  1  0.317  0.462  0.787  1.0
  O  O24  1  0.410  0.059  0.170  1.0
  O  O25  1  0.454  0.747  0.274  1.0
  O  O26  1  0.356  0.031  0.590  1.0
  O  O27  1  0.462  0.317  0.287  1.0
  O  O28  1  0.538  0.683  0.713  1.0
  O  O29  1  0.644  0.969  0.410  1.0
  O  O30  1  0.546  0.253  0.726  1.0
  O  O31  1  0.590  0.941  0.830  1.0
  O  O32  1  0.683  0.538  0.213  1.0
  O  O33  1  0.811  0.833  0.108  1.0
  O  O34  1  0.747  0.454  0.774  1.0
  O  O35  1  0.833  0.811  0.608  1.0
[/CIF]
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The material structure described by LiMn2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(5) 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(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiMn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.498
_cell_length_b   8.498
_cell_length_c   6.188
_cell_angle_alpha   74.246
_cell_angle_beta   74.246
_cell_angle_gamma   91.721
_symmetry_Int_Tables_number   1
_cell_volume   411.307
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.059  0.380  0.363  1.0
  Mn  Mn3  1  0.380  0.059  0.863  1.0
  Mn  Mn4  1  0.620  0.941  0.137  1.0
  Mn  Mn5  1  0.941  0.620  0.637  1.0
  P  P6  1  0.724  0.276  0.750  1.0
  P  P7  1  0.839  0.648  0.141  1.0
  P  P8  1  0.648  0.839  0.641  1.0
  P  P9  1  0.352  0.161  0.359  1.0
  P  P10  1  0.276  0.724  0.250  1.0
  P  P11  1  0.161  0.352  0.859  1.0
  O  O12  1  0.969  0.644  0.910  1.0
  O  O13  1  0.941  0.590  0.330  1.0
  O  O14  1  0.851  0.257  0.526  1.0
  O  O15  1  0.743  0.149  0.974  1.0
  O  O16  1  0.031  0.356  0.090  1.0
  O  O17  1  0.059  0.410  0.670  1.0
  O  O18  1  0.149  0.743  0.474  1.0
  O  O19  1  0.257  0.851  0.026  1.0
  O  O20  1  0.167  0.189  0.392  1.0
  O  O21  1  0.253  0.546  0.226  1.0
  O  O22  1  0.189  0.167  0.892  1.0
  O  O23  1  0.317  0.462  0.787  1.0
  O  O24  1  0.410  0.059  0.170  1.0
  O  O25  1  0.454  0.747  0.274  1.0
  O  O26  1  0.356  0.031  0.590  1.0
  O  O27  1  0.462  0.317  0.287  1.0
  O  O28  1  0.538  0.683  0.713  1.0
  O  O29  1  0.644  0.969  0.410  1.0
  O  O30  1  0.546  0.253  0.726  1.0
  O  O31  1  0.590  0.941  0.830  1.0
  O  O32  1  0.683  0.538  0.213  1.0
  O  O33  1  0.811  0.833  0.108  1.0
  O  O34  1  0.747  0.454  0.774  1.0
  O  O35  1  0.833  0.811  0.608  1.0
[/CIF]
.