The crystal structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(8), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Li site, Li(3) is bonded to one O(7), one O(9), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-81°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(8) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(9), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third P site, P(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(3), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2MnP tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   4.853
_cell_length_c   19.121
_cell_angle_alpha   89.715
_cell_angle_beta   89.715
_cell_angle_gamma   68.600
_symmetry_Int_Tables_number   1
_cell_volume   419.222
_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  0.676  0.676  0.913  1.0
  Li  Li1  1  0.000  0.000  0.166  1.0
  Li  Li2  1  1.000  1.000  0.834  1.0
  Li  Li3  1  0.325  0.325  0.755  1.0
  Li  Li4  1  0.675  0.675  0.245  1.0
  Li  Li5  1  0.324  0.324  0.087  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.001  0.001  0.332  1.0
  Mn  Mn8  1  0.999  0.999  0.668  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  P  P10  1  0.346  0.346  0.584  1.0
  P  P11  1  0.652  0.652  0.750  1.0
  P  P12  1  0.350  0.350  0.918  1.0
  P  P13  1  0.650  0.650  0.082  1.0
  P  P14  1  0.348  0.348  0.250  1.0
  P  P15  1  0.654  0.654  0.416  1.0
  O  O16  1  0.233  0.233  0.519  1.0
  O  O17  1  0.250  0.250  0.183  1.0
  O  O18  1  0.750  0.750  0.817  1.0
  O  O19  1  0.239  0.696  0.922  1.0
  O  O20  1  0.695  0.239  0.255  1.0
  O  O21  1  0.232  0.232  0.316  1.0
  O  O22  1  0.307  0.775  0.417  1.0
  O  O23  1  0.761  0.305  0.745  1.0
  O  O24  1  0.239  0.695  0.255  1.0
  O  O25  1  0.247  0.247  0.852  1.0
  O  O26  1  0.753  0.753  0.148  1.0
  O  O27  1  0.763  0.763  0.015  1.0
  O  O28  1  0.761  0.304  0.078  1.0
  O  O29  1  0.225  0.693  0.583  1.0
  O  O30  1  0.696  0.239  0.922  1.0
  O  O31  1  0.693  0.225  0.583  1.0
  O  O32  1  0.767  0.767  0.481  1.0
  O  O33  1  0.760  0.760  0.347  1.0
  O  O34  1  0.237  0.237  0.985  1.0
  O  O35  1  0.304  0.761  0.078  1.0
  O  O36  1  0.775  0.307  0.417  1.0
  O  O37  1  0.305  0.761  0.745  1.0
  O  O38  1  0.768  0.768  0.684  1.0
  O  O39  1  0.240  0.240  0.653  1.0
[/CIF]
.
The crystal structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(8), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Li site, Li(3) is bonded to one O(7), one O(9), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-81°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(8) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(9), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third P site, P(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(3), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2MnP tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   4.853
_cell_length_c   19.121
_cell_angle_alpha   89.715
_cell_angle_beta   89.715
_cell_angle_gamma   68.600
_symmetry_Int_Tables_number   1
_cell_volume   419.222
_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  0.676  0.676  0.913  1.0
  Li  Li1  1  0.000  0.000  0.166  1.0
  Li  Li2  1  1.000  1.000  0.834  1.0
  Li  Li3  1  0.325  0.325  0.755  1.0
  Li  Li4  1  0.675  0.675  0.245  1.0
  Li  Li5  1  0.324  0.324  0.087  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.001  0.001  0.332  1.0
  Mn  Mn8  1  0.999  0.999  0.668  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  P  P10  1  0.346  0.346  0.584  1.0
  P  P11  1  0.652  0.652  0.750  1.0
  P  P12  1  0.350  0.350  0.918  1.0
  P  P13  1  0.650  0.650  0.082  1.0
  P  P14  1  0.348  0.348  0.250  1.0
  P  P15  1  0.654  0.654  0.416  1.0
  O  O16  1  0.233  0.233  0.519  1.0
  O  O17  1  0.250  0.250  0.183  1.0
  O  O18  1  0.750  0.750  0.817  1.0
  O  O19  1  0.239  0.696  0.922  1.0
  O  O20  1  0.695  0.239  0.255  1.0
  O  O21  1  0.232  0.232  0.316  1.0
  O  O22  1  0.307  0.775  0.417  1.0
  O  O23  1  0.761  0.305  0.745  1.0
  O  O24  1  0.239  0.695  0.255  1.0
  O  O25  1  0.247  0.247  0.852  1.0
  O  O26  1  0.753  0.753  0.148  1.0
  O  O27  1  0.763  0.763  0.015  1.0
  O  O28  1  0.761  0.304  0.078  1.0
  O  O29  1  0.225  0.693  0.583  1.0
  O  O30  1  0.696  0.239  0.922  1.0
  O  O31  1  0.693  0.225  0.583  1.0
  O  O32  1  0.767  0.767  0.481  1.0
  O  O33  1  0.760  0.760  0.347  1.0
  O  O34  1  0.237  0.237  0.985  1.0
  O  O35  1  0.304  0.761  0.078  1.0
  O  O36  1  0.775  0.307  0.417  1.0
  O  O37  1  0.305  0.761  0.745  1.0
  O  O38  1  0.768  0.768  0.684  1.0
  O  O39  1  0.240  0.240  0.653  1.0
[/CIF]
.