The crystal structure described by Li2Mn(PO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. 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 three equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) 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 trigonal planar 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 non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.962
_cell_length_c   7.099
_cell_angle_alpha   89.587
_cell_angle_beta   82.541
_cell_angle_gamma   63.453
_symmetry_Int_Tables_number   1
_cell_volume   145.412
_cell_formula_units_Z   1
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  0.712  0.792  0.849  1.0
  Li  Li1  1  0.288  0.208  0.151  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.764  0.850  0.103  1.0
  O  O4  1  0.236  0.150  0.897  1.0
  O  O5  1  0.719  0.737  0.451  1.0
  O  O6  1  0.281  0.263  0.549  1.0
  O  O7  1  0.148  0.834  0.656  1.0
  O  O8  1  0.852  0.166  0.344  1.0
  O  O9  1  0.266  0.621  0.270  1.0
  O  O10  1  0.734  0.379  0.730  1.0
  P  P11  1  0.892  0.843  0.288  1.0
  P  P12  1  0.108  0.157  0.712  1.0
[/CIF]
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The crystal structure described by Li2Mn(PO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. 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 three equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) 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 trigonal planar 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 non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.962
_cell_length_c   7.099
_cell_angle_alpha   89.587
_cell_angle_beta   82.541
_cell_angle_gamma   63.453
_symmetry_Int_Tables_number   1
_cell_volume   145.412
_cell_formula_units_Z   1
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  0.712  0.792  0.849  1.0
  Li  Li1  1  0.288  0.208  0.151  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.764  0.850  0.103  1.0
  O  O4  1  0.236  0.150  0.897  1.0
  O  O5  1  0.719  0.737  0.451  1.0
  O  O6  1  0.281  0.263  0.549  1.0
  O  O7  1  0.148  0.834  0.656  1.0
  O  O8  1  0.852  0.166  0.344  1.0
  O  O9  1  0.266  0.621  0.270  1.0
  O  O10  1  0.734  0.379  0.730  1.0
  P  P11  1  0.892  0.843  0.288  1.0
  P  P12  1  0.108  0.157  0.712  1.0
[/CIF]
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