The material structure described by Li3Mn(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the third O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(5), two equivalent Li(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(2) is bonded to one Li(1), one Li(3), one Mn(3), and one P(2) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(1) atom. In the eighth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.451
_cell_length_b   8.451
_cell_length_c   8.451
_cell_angle_alpha   64.266
_cell_angle_beta   64.266
_cell_angle_gamma   64.266
_symmetry_Int_Tables_number   1
_cell_volume   466.733
_cell_formula_units_Z   3
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  0.827  0.298  0.645  1.0
  Li  Li1  1  0.747  0.346  0.150  1.0
  Li  Li2  1  0.346  0.150  0.747  1.0
  Li  Li3  1  0.997  0.997  0.997  1.0
  Li  Li4  1  0.509  0.509  0.509  1.0
  Li  Li5  1  0.651  0.651  0.651  1.0
  Li  Li6  1  0.645  0.827  0.298  1.0
  Li  Li7  1  0.298  0.645  0.827  1.0
  Li  Li8  1  0.150  0.747  0.346  1.0
  Mn  Mn9  1  0.145  0.145  0.145  1.0
  Mn  Mn10  1  0.356  0.356  0.356  1.0
  Mn  Mn11  1  0.854  0.854  0.854  1.0
  P  P12  1  0.748  0.052  0.446  1.0
  P  P13  1  0.950  0.549  0.248  1.0
  P  P14  1  0.549  0.248  0.950  1.0
  P  P15  1  0.446  0.748  0.052  1.0
  P  P16  1  0.052  0.446  0.748  1.0
  P  P17  1  0.248  0.950  0.549  1.0
  O  O18  1  0.905  0.074  0.253  1.0
  O  O19  1  0.741  0.098  0.929  1.0
  O  O20  1  0.896  0.471  0.688  1.0
  O  O21  1  0.023  0.608  0.806  1.0
  O  O22  1  0.599  0.247  0.425  1.0
  O  O23  1  0.390  0.176  0.991  1.0
  O  O24  1  0.307  0.113  0.522  1.0
  O  O25  1  0.765  0.554  0.403  1.0
  O  O26  1  0.929  0.741  0.098  1.0
  O  O27  1  0.176  0.991  0.390  1.0
  O  O28  1  0.522  0.307  0.113  1.0
  O  O29  1  0.554  0.403  0.765  1.0
  O  O30  1  0.425  0.599  0.247  1.0
  O  O31  1  0.471  0.688  0.896  1.0
  O  O32  1  0.806  0.023  0.608  1.0
  O  O33  1  0.247  0.425  0.599  1.0
  O  O34  1  0.074  0.253  0.905  1.0
  O  O35  1  0.608  0.806  0.023  1.0
  O  O36  1  0.688  0.896  0.471  1.0
  O  O37  1  0.403  0.765  0.554  1.0
  O  O38  1  0.991  0.390  0.176  1.0
  O  O39  1  0.113  0.522  0.307  1.0
  O  O40  1  0.253  0.905  0.074  1.0
  O  O41  1  0.098  0.929  0.741  1.0
[/CIF]
.
The material structure described by Li3Mn(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the third O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(5), two equivalent Li(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(2) is bonded to one Li(1), one Li(3), one Mn(3), and one P(2) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(1) atom. In the eighth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.451
_cell_length_b   8.451
_cell_length_c   8.451
_cell_angle_alpha   64.266
_cell_angle_beta   64.266
_cell_angle_gamma   64.266
_symmetry_Int_Tables_number   1
_cell_volume   466.733
_cell_formula_units_Z   3
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  0.827  0.298  0.645  1.0
  Li  Li1  1  0.747  0.346  0.150  1.0
  Li  Li2  1  0.346  0.150  0.747  1.0
  Li  Li3  1  0.997  0.997  0.997  1.0
  Li  Li4  1  0.509  0.509  0.509  1.0
  Li  Li5  1  0.651  0.651  0.651  1.0
  Li  Li6  1  0.645  0.827  0.298  1.0
  Li  Li7  1  0.298  0.645  0.827  1.0
  Li  Li8  1  0.150  0.747  0.346  1.0
  Mn  Mn9  1  0.145  0.145  0.145  1.0
  Mn  Mn10  1  0.356  0.356  0.356  1.0
  Mn  Mn11  1  0.854  0.854  0.854  1.0
  P  P12  1  0.748  0.052  0.446  1.0
  P  P13  1  0.950  0.549  0.248  1.0
  P  P14  1  0.549  0.248  0.950  1.0
  P  P15  1  0.446  0.748  0.052  1.0
  P  P16  1  0.052  0.446  0.748  1.0
  P  P17  1  0.248  0.950  0.549  1.0
  O  O18  1  0.905  0.074  0.253  1.0
  O  O19  1  0.741  0.098  0.929  1.0
  O  O20  1  0.896  0.471  0.688  1.0
  O  O21  1  0.023  0.608  0.806  1.0
  O  O22  1  0.599  0.247  0.425  1.0
  O  O23  1  0.390  0.176  0.991  1.0
  O  O24  1  0.307  0.113  0.522  1.0
  O  O25  1  0.765  0.554  0.403  1.0
  O  O26  1  0.929  0.741  0.098  1.0
  O  O27  1  0.176  0.991  0.390  1.0
  O  O28  1  0.522  0.307  0.113  1.0
  O  O29  1  0.554  0.403  0.765  1.0
  O  O30  1  0.425  0.599  0.247  1.0
  O  O31  1  0.471  0.688  0.896  1.0
  O  O32  1  0.806  0.023  0.608  1.0
  O  O33  1  0.247  0.425  0.599  1.0
  O  O34  1  0.074  0.253  0.905  1.0
  O  O35  1  0.608  0.806  0.023  1.0
  O  O36  1  0.688  0.896  0.471  1.0
  O  O37  1  0.403  0.765  0.554  1.0
  O  O38  1  0.991  0.390  0.176  1.0
  O  O39  1  0.113  0.522  0.307  1.0
  O  O40  1  0.253  0.905  0.074  1.0
  O  O41  1  0.098  0.929  0.741  1.0
[/CIF]
.