The material structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-45°. There are twelve 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(8)Li3MnP trigonal bipyramid and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), and one P(3) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(7)Li2MnP trigonal pyramid and  an edgeedge with one O(8)Li3MnP trigonal bipyramid. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(4), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.562
_cell_length_b   8.562
_cell_length_c   8.712
_cell_angle_alpha   61.794
_cell_angle_beta   61.794
_cell_angle_gamma   61.531
_symmetry_Int_Tables_number   1
_cell_volume   468.854
_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  0.988  0.514  0.723  1.0
  Li  Li1  1  0.845  0.155  0.000  1.0
  Li  Li2  1  0.486  0.012  0.277  1.0
  Li  Li3  1  0.167  0.833  0.500  1.0
  Li  Li4  1  0.739  0.657  0.103  1.0
  Li  Li5  1  0.343  0.261  0.897  1.0
  Mn  Mn6  1  0.857  0.357  0.607  1.0
  Mn  Mn7  1  0.643  0.143  0.393  1.0
  Mn  Mn8  1  0.350  0.857  0.102  1.0
  Mn  Mn9  1  0.143  0.650  0.898  1.0
  P  P10  1  0.246  0.051  0.695  1.0
  P  P11  1  0.949  0.754  0.305  1.0
  P  P12  1  0.545  0.455  0.000  1.0
  P  P13  1  0.466  0.534  0.500  1.0
  P  P14  1  0.043  0.251  0.205  1.0
  P  P15  1  0.749  0.957  0.795  1.0
  O  O16  1  0.714  0.995  0.623  1.0
  O  O17  1  0.502  0.373  0.442  1.0
  O  O18  1  0.070  0.235  0.695  1.0
  O  O19  1  0.887  0.208  0.209  1.0
  O  O20  1  0.400  0.070  0.508  1.0
  O  O21  1  0.193  0.883  0.729  1.0
  O  O22  1  0.930  0.600  0.492  1.0
  O  O23  1  0.765  0.930  0.305  1.0
  O  O24  1  0.566  0.262  0.153  1.0
  O  O25  1  0.627  0.498  0.558  1.0
  O  O26  1  0.274  0.551  0.656  1.0
  O  O27  1  0.005  0.286  0.377  1.0
  O  O28  1  0.972  0.703  0.147  1.0
  O  O29  1  0.738  0.434  0.847  1.0
  O  O30  1  0.384  0.489  0.940  1.0
  O  O31  1  0.449  0.726  0.344  1.0
  O  O32  1  0.239  0.090  0.179  1.0
  O  O33  1  0.069  0.420  0.020  1.0
  O  O34  1  0.792  0.113  0.791  1.0
  O  O35  1  0.580  0.931  0.980  1.0
  O  O36  1  0.117  0.807  0.271  1.0
  O  O37  1  0.910  0.761  0.821  1.0
  O  O38  1  0.511  0.616  0.060  1.0
  O  O39  1  0.297  0.028  0.853  1.0
[/CIF]
.
The material structure described by Li3Mn2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-45°. There are twelve 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(8)Li3MnP trigonal bipyramid and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), and one P(3) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(7)Li2MnP trigonal pyramid and  an edgeedge with one O(8)Li3MnP trigonal bipyramid. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(4), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.562
_cell_length_b   8.562
_cell_length_c   8.712
_cell_angle_alpha   61.794
_cell_angle_beta   61.794
_cell_angle_gamma   61.531
_symmetry_Int_Tables_number   1
_cell_volume   468.854
_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  0.988  0.514  0.723  1.0
  Li  Li1  1  0.845  0.155  0.000  1.0
  Li  Li2  1  0.486  0.012  0.277  1.0
  Li  Li3  1  0.167  0.833  0.500  1.0
  Li  Li4  1  0.739  0.657  0.103  1.0
  Li  Li5  1  0.343  0.261  0.897  1.0
  Mn  Mn6  1  0.857  0.357  0.607  1.0
  Mn  Mn7  1  0.643  0.143  0.393  1.0
  Mn  Mn8  1  0.350  0.857  0.102  1.0
  Mn  Mn9  1  0.143  0.650  0.898  1.0
  P  P10  1  0.246  0.051  0.695  1.0
  P  P11  1  0.949  0.754  0.305  1.0
  P  P12  1  0.545  0.455  0.000  1.0
  P  P13  1  0.466  0.534  0.500  1.0
  P  P14  1  0.043  0.251  0.205  1.0
  P  P15  1  0.749  0.957  0.795  1.0
  O  O16  1  0.714  0.995  0.623  1.0
  O  O17  1  0.502  0.373  0.442  1.0
  O  O18  1  0.070  0.235  0.695  1.0
  O  O19  1  0.887  0.208  0.209  1.0
  O  O20  1  0.400  0.070  0.508  1.0
  O  O21  1  0.193  0.883  0.729  1.0
  O  O22  1  0.930  0.600  0.492  1.0
  O  O23  1  0.765  0.930  0.305  1.0
  O  O24  1  0.566  0.262  0.153  1.0
  O  O25  1  0.627  0.498  0.558  1.0
  O  O26  1  0.274  0.551  0.656  1.0
  O  O27  1  0.005  0.286  0.377  1.0
  O  O28  1  0.972  0.703  0.147  1.0
  O  O29  1  0.738  0.434  0.847  1.0
  O  O30  1  0.384  0.489  0.940  1.0
  O  O31  1  0.449  0.726  0.344  1.0
  O  O32  1  0.239  0.090  0.179  1.0
  O  O33  1  0.069  0.420  0.020  1.0
  O  O34  1  0.792  0.113  0.791  1.0
  O  O35  1  0.580  0.931  0.980  1.0
  O  O36  1  0.117  0.807  0.271  1.0
  O  O37  1  0.910  0.761  0.821  1.0
  O  O38  1  0.511  0.616  0.060  1.0
  O  O39  1  0.297  0.028  0.853  1.0
[/CIF]
.