The structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)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 four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-50°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.820
_cell_length_b   8.820
_cell_length_c   11.516
_cell_angle_alpha   45.846
_cell_angle_beta   45.846
_cell_angle_gamma   60.270
_symmetry_Int_Tables_number   1
_cell_volume   461.042
_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  0.043  0.592  0.243  1.0
  Li  Li1  1  0.592  0.043  0.743  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.408  0.957  0.257  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  0.957  0.408  0.757  1.0
  Mn  Mn6  1  0.807  0.788  0.064  1.0
  Mn  Mn7  1  0.788  0.807  0.564  1.0
  Mn  Mn8  1  0.212  0.193  0.436  1.0
  Mn  Mn9  1  0.193  0.212  0.936  1.0
  P  P10  1  0.033  0.706  0.724  1.0
  P  P11  1  0.716  0.284  0.750  1.0
  P  P12  1  0.706  0.033  0.224  1.0
  P  P13  1  0.294  0.967  0.776  1.0
  P  P14  1  0.967  0.294  0.276  1.0
  P  P15  1  0.284  0.716  0.250  1.0
  O  O16  1  0.693  0.055  0.935  1.0
  O  O17  1  0.055  0.693  0.435  1.0
  O  O18  1  0.839  0.681  0.756  1.0
  O  O19  1  0.176  0.504  0.735  1.0
  O  O20  1  0.307  0.945  0.065  1.0
  O  O21  1  0.945  0.307  0.565  1.0
  O  O22  1  0.161  0.319  0.244  1.0
  O  O23  1  0.824  0.496  0.265  1.0
  O  O24  1  0.830  0.104  0.477  1.0
  O  O25  1  0.060  0.285  0.109  1.0
  O  O26  1  0.442  0.688  0.282  1.0
  O  O27  1  0.319  0.161  0.744  1.0
  O  O28  1  0.496  0.824  0.765  1.0
  O  O29  1  0.104  0.830  0.977  1.0
  O  O30  1  0.312  0.558  0.218  1.0
  O  O31  1  0.285  0.060  0.609  1.0
  O  O32  1  0.715  0.940  0.391  1.0
  O  O33  1  0.688  0.442  0.782  1.0
  O  O34  1  0.896  0.170  0.023  1.0
  O  O35  1  0.504  0.176  0.235  1.0
  O  O36  1  0.681  0.839  0.256  1.0
  O  O37  1  0.558  0.312  0.718  1.0
  O  O38  1  0.940  0.715  0.891  1.0
  O  O39  1  0.170  0.896  0.523  1.0
[/CIF]
.
The structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)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 four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-50°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.820
_cell_length_b   8.820
_cell_length_c   11.516
_cell_angle_alpha   45.846
_cell_angle_beta   45.846
_cell_angle_gamma   60.270
_symmetry_Int_Tables_number   1
_cell_volume   461.042
_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  0.043  0.592  0.243  1.0
  Li  Li1  1  0.592  0.043  0.743  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.408  0.957  0.257  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  0.957  0.408  0.757  1.0
  Mn  Mn6  1  0.807  0.788  0.064  1.0
  Mn  Mn7  1  0.788  0.807  0.564  1.0
  Mn  Mn8  1  0.212  0.193  0.436  1.0
  Mn  Mn9  1  0.193  0.212  0.936  1.0
  P  P10  1  0.033  0.706  0.724  1.0
  P  P11  1  0.716  0.284  0.750  1.0
  P  P12  1  0.706  0.033  0.224  1.0
  P  P13  1  0.294  0.967  0.776  1.0
  P  P14  1  0.967  0.294  0.276  1.0
  P  P15  1  0.284  0.716  0.250  1.0
  O  O16  1  0.693  0.055  0.935  1.0
  O  O17  1  0.055  0.693  0.435  1.0
  O  O18  1  0.839  0.681  0.756  1.0
  O  O19  1  0.176  0.504  0.735  1.0
  O  O20  1  0.307  0.945  0.065  1.0
  O  O21  1  0.945  0.307  0.565  1.0
  O  O22  1  0.161  0.319  0.244  1.0
  O  O23  1  0.824  0.496  0.265  1.0
  O  O24  1  0.830  0.104  0.477  1.0
  O  O25  1  0.060  0.285  0.109  1.0
  O  O26  1  0.442  0.688  0.282  1.0
  O  O27  1  0.319  0.161  0.744  1.0
  O  O28  1  0.496  0.824  0.765  1.0
  O  O29  1  0.104  0.830  0.977  1.0
  O  O30  1  0.312  0.558  0.218  1.0
  O  O31  1  0.285  0.060  0.609  1.0
  O  O32  1  0.715  0.940  0.391  1.0
  O  O33  1  0.688  0.442  0.782  1.0
  O  O34  1  0.896  0.170  0.023  1.0
  O  O35  1  0.504  0.176  0.235  1.0
  O  O36  1  0.681  0.839  0.256  1.0
  O  O37  1  0.558  0.312  0.718  1.0
  O  O38  1  0.940  0.715  0.891  1.0
  O  O39  1  0.170  0.896  0.523  1.0
[/CIF]
.