The material structure described by Li4Mn7(PO4)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), two equivalent O(14), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  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. The corner-sharing octahedral tilt angles are 67°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second P site, P(2) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the third P site, P(3) is bonded to one O(11), one O(7), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(2), one Mn(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Mn7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.072
_cell_length_b   9.072
_cell_length_c   6.710
_cell_angle_alpha   80.903
_cell_angle_beta   80.903
_cell_angle_gamma   103.549
_symmetry_Int_Tables_number   1
_cell_volume   519.065
_cell_formula_units_Z   1
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  0.788  0.788  0.439  1.0
  Li  Li1  1  0.586  0.356  0.521  1.0
  Li  Li2  1  0.356  0.586  0.521  1.0
  Li  Li3  1  0.116  0.116  0.614  1.0
  Mn  Mn4  1  0.995  0.357  0.186  1.0
  Mn  Mn5  1  0.357  0.995  0.186  1.0
  Mn  Mn6  1  0.643  0.342  0.017  1.0
  Mn  Mn7  1  0.342  0.643  0.017  1.0
  Mn  Mn8  1  0.989  0.989  0.015  1.0
  Mn  Mn9  1  0.636  0.997  0.805  1.0
  Mn  Mn10  1  0.997  0.636  0.805  1.0
  P  P11  1  0.892  0.278  0.711  1.0
  P  P12  1  0.278  0.892  0.711  1.0
  P  P13  1  0.670  0.670  0.078  1.0
  P  P14  1  0.312  0.312  0.902  1.0
  P  P15  1  0.708  0.084  0.294  1.0
  P  P16  1  0.084  0.708  0.294  1.0
  O  O17  1  0.579  0.754  0.936  1.0
  O  O18  1  0.754  0.579  0.936  1.0
  O  O19  1  0.790  0.790  0.148  1.0
  O  O20  1  0.945  0.379  0.868  1.0
  O  O21  1  0.379  0.945  0.868  1.0
  O  O22  1  0.889  0.102  0.775  1.0
  O  O23  1  0.102  0.889  0.775  1.0
  O  O24  1  0.716  0.274  0.722  1.0
  O  O25  1  0.274  0.716  0.722  1.0
  O  O26  1  0.553  0.553  0.258  1.0
  O  O27  1  0.419  0.419  0.705  1.0
  O  O28  1  0.115  0.886  0.212  1.0
  O  O29  1  0.886  0.115  0.212  1.0
  O  O30  1  0.685  0.248  0.313  1.0
  O  O31  1  0.248  0.685  0.313  1.0
  O  O32  1  0.667  0.961  0.495  1.0
  O  O33  1  0.961  0.667  0.495  1.0
  O  O34  1  0.186  0.186  0.854  1.0
  O  O35  1  0.610  0.031  0.134  1.0
  O  O36  1  0.031  0.610  0.134  1.0
  O  O37  1  0.410  0.235  0.039  1.0
  O  O38  1  0.235  0.410  0.039  1.0
  O  O39  1  0.338  0.002  0.500  1.0
  O  O40  1  0.002  0.338  0.500  1.0
[/CIF]
.
The material structure described by Li4Mn7(PO4)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), two equivalent O(14), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  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. The corner-sharing octahedral tilt angles are 67°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second P site, P(2) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the third P site, P(3) is bonded to one O(11), one O(7), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(2), one Mn(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Mn7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.072
_cell_length_b   9.072
_cell_length_c   6.710
_cell_angle_alpha   80.903
_cell_angle_beta   80.903
_cell_angle_gamma   103.549
_symmetry_Int_Tables_number   1
_cell_volume   519.065
_cell_formula_units_Z   1
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  0.788  0.788  0.439  1.0
  Li  Li1  1  0.586  0.356  0.521  1.0
  Li  Li2  1  0.356  0.586  0.521  1.0
  Li  Li3  1  0.116  0.116  0.614  1.0
  Mn  Mn4  1  0.995  0.357  0.186  1.0
  Mn  Mn5  1  0.357  0.995  0.186  1.0
  Mn  Mn6  1  0.643  0.342  0.017  1.0
  Mn  Mn7  1  0.342  0.643  0.017  1.0
  Mn  Mn8  1  0.989  0.989  0.015  1.0
  Mn  Mn9  1  0.636  0.997  0.805  1.0
  Mn  Mn10  1  0.997  0.636  0.805  1.0
  P  P11  1  0.892  0.278  0.711  1.0
  P  P12  1  0.278  0.892  0.711  1.0
  P  P13  1  0.670  0.670  0.078  1.0
  P  P14  1  0.312  0.312  0.902  1.0
  P  P15  1  0.708  0.084  0.294  1.0
  P  P16  1  0.084  0.708  0.294  1.0
  O  O17  1  0.579  0.754  0.936  1.0
  O  O18  1  0.754  0.579  0.936  1.0
  O  O19  1  0.790  0.790  0.148  1.0
  O  O20  1  0.945  0.379  0.868  1.0
  O  O21  1  0.379  0.945  0.868  1.0
  O  O22  1  0.889  0.102  0.775  1.0
  O  O23  1  0.102  0.889  0.775  1.0
  O  O24  1  0.716  0.274  0.722  1.0
  O  O25  1  0.274  0.716  0.722  1.0
  O  O26  1  0.553  0.553  0.258  1.0
  O  O27  1  0.419  0.419  0.705  1.0
  O  O28  1  0.115  0.886  0.212  1.0
  O  O29  1  0.886  0.115  0.212  1.0
  O  O30  1  0.685  0.248  0.313  1.0
  O  O31  1  0.248  0.685  0.313  1.0
  O  O32  1  0.667  0.961  0.495  1.0
  O  O33  1  0.961  0.667  0.495  1.0
  O  O34  1  0.186  0.186  0.854  1.0
  O  O35  1  0.610  0.031  0.134  1.0
  O  O36  1  0.031  0.610  0.134  1.0
  O  O37  1  0.410  0.235  0.039  1.0
  O  O38  1  0.235  0.410  0.039  1.0
  O  O39  1  0.338  0.002  0.500  1.0
  O  O40  1  0.002  0.338  0.500  1.0
[/CIF]
.