The material structure described by Li2Mn(PO4)2 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 rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(8) atoms. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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 Li(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.822
_cell_length_b   8.165
_cell_length_c   8.832
_cell_angle_alpha   115.681
_cell_angle_beta   104.159
_cell_angle_gamma   90.052
_symmetry_Int_Tables_number   1
_cell_volume   301.569
_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  0.114  0.909  0.682  1.0
  Li  Li1  1  0.366  0.593  0.398  1.0
  Li  Li2  1  0.634  0.407  0.602  1.0
  Li  Li3  1  0.886  0.091  0.318  1.0
  Mn  Mn4  1  0.275  0.764  0.039  1.0
  Mn  Mn5  1  0.725  0.236  0.961  1.0
  P  P6  1  0.134  0.320  0.764  1.0
  P  P7  1  0.317  0.199  0.190  1.0
  P  P8  1  0.683  0.801  0.810  1.0
  P  P9  1  0.866  0.680  0.236  1.0
  O  O10  1  0.020  0.839  0.878  1.0
  O  O11  1  0.090  0.519  0.879  1.0
  O  O12  1  0.015  0.732  0.427  1.0
  O  O13  1  0.012  0.816  0.186  1.0
  O  O14  1  0.463  0.295  0.787  1.0
  O  O15  1  0.555  0.981  0.818  1.0
  O  O16  1  0.555  0.724  0.914  1.0
  O  O17  1  0.607  0.661  0.621  1.0
  O  O18  1  0.393  0.339  0.378  1.0
  O  O19  1  0.445  0.276  0.086  1.0
  O  O20  1  0.445  0.019  0.182  1.0
  O  O21  1  0.537  0.705  0.212  1.0
  O  O22  1  0.989  0.184  0.814  1.0
  O  O23  1  0.985  0.268  0.573  1.0
  O  O24  1  0.911  0.481  0.121  1.0
  O  O25  1  0.980  0.161  0.122  1.0
[/CIF]
.
The material structure described by Li2Mn(PO4)2 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 rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(8) atoms. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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 Li(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.822
_cell_length_b   8.165
_cell_length_c   8.832
_cell_angle_alpha   115.681
_cell_angle_beta   104.159
_cell_angle_gamma   90.052
_symmetry_Int_Tables_number   1
_cell_volume   301.569
_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  0.114  0.909  0.682  1.0
  Li  Li1  1  0.366  0.593  0.398  1.0
  Li  Li2  1  0.634  0.407  0.602  1.0
  Li  Li3  1  0.886  0.091  0.318  1.0
  Mn  Mn4  1  0.275  0.764  0.039  1.0
  Mn  Mn5  1  0.725  0.236  0.961  1.0
  P  P6  1  0.134  0.320  0.764  1.0
  P  P7  1  0.317  0.199  0.190  1.0
  P  P8  1  0.683  0.801  0.810  1.0
  P  P9  1  0.866  0.680  0.236  1.0
  O  O10  1  0.020  0.839  0.878  1.0
  O  O11  1  0.090  0.519  0.879  1.0
  O  O12  1  0.015  0.732  0.427  1.0
  O  O13  1  0.012  0.816  0.186  1.0
  O  O14  1  0.463  0.295  0.787  1.0
  O  O15  1  0.555  0.981  0.818  1.0
  O  O16  1  0.555  0.724  0.914  1.0
  O  O17  1  0.607  0.661  0.621  1.0
  O  O18  1  0.393  0.339  0.378  1.0
  O  O19  1  0.445  0.276  0.086  1.0
  O  O20  1  0.445  0.019  0.182  1.0
  O  O21  1  0.537  0.705  0.212  1.0
  O  O22  1  0.989  0.184  0.814  1.0
  O  O23  1  0.985  0.268  0.573  1.0
  O  O24  1  0.911  0.481  0.121  1.0
  O  O25  1  0.980  0.161  0.122  1.0
[/CIF]
.