The structure described by LiMn4(PO4)3 crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 79°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.921
_cell_length_b   10.921
_cell_length_c   10.921
_cell_angle_alpha   143.562
_cell_angle_beta   143.562
_cell_angle_gamma   52.482
_symmetry_Int_Tables_number   1
_cell_volume   456.795
_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  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.375  0.889  0.014  1.0
  Mn  Mn3  1  0.518  0.018  0.500  1.0
  Mn  Mn4  1  0.768  0.768  0.000  1.0
  Mn  Mn5  1  0.982  0.482  0.500  1.0
  Mn  Mn6  1  0.111  0.125  0.486  1.0
  Mn  Mn7  1  0.875  0.361  0.986  1.0
  Mn  Mn8  1  0.232  0.232  0.000  1.0
  Mn  Mn9  1  0.639  0.625  0.514  1.0
  P  P10  1  0.000  0.000  0.000  1.0
  P  P11  1  0.375  0.473  0.598  1.0
  P  P12  1  0.750  0.250  0.500  1.0
  P  P13  1  0.875  0.777  0.402  1.0
  P  P14  1  0.223  0.625  0.098  1.0
  P  P15  1  0.527  0.125  0.902  1.0
  O  O16  1  0.229  0.987  0.134  1.0
  O  O17  1  0.280  0.551  0.708  1.0
  O  O18  1  0.470  0.677  0.771  1.0
  O  O19  1  0.521  0.155  0.258  1.0
  O  O20  1  0.540  0.333  0.662  1.0
  O  O21  1  0.737  0.479  0.634  1.0
  O  O22  1  0.845  0.103  0.366  1.0
  O  O23  1  0.013  0.147  0.242  1.0
  O  O24  1  0.671  0.877  0.338  1.0
  O  O25  1  0.897  0.263  0.742  1.0
  O  O26  1  0.906  0.699  0.229  1.0
  O  O27  1  0.083  0.790  0.162  1.0
  O  O28  1  0.123  0.460  0.794  1.0
  O  O29  1  0.844  0.573  0.292  1.0
  O  O30  1  0.853  0.095  0.866  1.0
  O  O31  1  0.079  0.917  0.706  1.0
  O  O32  1  0.301  0.530  0.208  1.0
  O  O33  1  0.427  0.720  0.271  1.0
  O  O34  1  0.323  0.094  0.792  1.0
  O  O35  1  0.449  0.156  0.729  1.0
  O  O36  1  0.210  0.373  0.294  1.0
  O  O37  1  0.627  0.921  0.838  1.0
  O  O38  1  0.667  0.329  0.206  1.0
  O  O39  1  0.905  0.771  0.758  1.0
[/CIF]
.
The structure described by LiMn4(PO4)3 crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 79°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.921
_cell_length_b   10.921
_cell_length_c   10.921
_cell_angle_alpha   143.562
_cell_angle_beta   143.562
_cell_angle_gamma   52.482
_symmetry_Int_Tables_number   1
_cell_volume   456.795
_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  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.375  0.889  0.014  1.0
  Mn  Mn3  1  0.518  0.018  0.500  1.0
  Mn  Mn4  1  0.768  0.768  0.000  1.0
  Mn  Mn5  1  0.982  0.482  0.500  1.0
  Mn  Mn6  1  0.111  0.125  0.486  1.0
  Mn  Mn7  1  0.875  0.361  0.986  1.0
  Mn  Mn8  1  0.232  0.232  0.000  1.0
  Mn  Mn9  1  0.639  0.625  0.514  1.0
  P  P10  1  0.000  0.000  0.000  1.0
  P  P11  1  0.375  0.473  0.598  1.0
  P  P12  1  0.750  0.250  0.500  1.0
  P  P13  1  0.875  0.777  0.402  1.0
  P  P14  1  0.223  0.625  0.098  1.0
  P  P15  1  0.527  0.125  0.902  1.0
  O  O16  1  0.229  0.987  0.134  1.0
  O  O17  1  0.280  0.551  0.708  1.0
  O  O18  1  0.470  0.677  0.771  1.0
  O  O19  1  0.521  0.155  0.258  1.0
  O  O20  1  0.540  0.333  0.662  1.0
  O  O21  1  0.737  0.479  0.634  1.0
  O  O22  1  0.845  0.103  0.366  1.0
  O  O23  1  0.013  0.147  0.242  1.0
  O  O24  1  0.671  0.877  0.338  1.0
  O  O25  1  0.897  0.263  0.742  1.0
  O  O26  1  0.906  0.699  0.229  1.0
  O  O27  1  0.083  0.790  0.162  1.0
  O  O28  1  0.123  0.460  0.794  1.0
  O  O29  1  0.844  0.573  0.292  1.0
  O  O30  1  0.853  0.095  0.866  1.0
  O  O31  1  0.079  0.917  0.706  1.0
  O  O32  1  0.301  0.530  0.208  1.0
  O  O33  1  0.427  0.720  0.271  1.0
  O  O34  1  0.323  0.094  0.792  1.0
  O  O35  1  0.449  0.156  0.729  1.0
  O  O36  1  0.210  0.373  0.294  1.0
  O  O37  1  0.627  0.921  0.838  1.0
  O  O38  1  0.667  0.329  0.206  1.0
  O  O39  1  0.905  0.771  0.758  1.0
[/CIF]
.