The material structure described by Li4Mn7(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(20), and one O(3) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(14), one O(23), one O(7), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(16), one O(19), one O(21), and one O(23) atom. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(16), one O(2), one O(21), one O(3), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(13), one O(15), one O(21), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(13), one O(20), one O(24), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(18), one O(19), one O(20), and one O(6) atom. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(19), one O(5), one O(6), and one O(7) atom. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(17), one O(18), and one O(4) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(17), one O(2), one O(22), one O(23), one O(4), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 24°. In the second P site, P(2) is bonded to one O(10), 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 and corners with two equivalent Mn(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(16), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. In the fifth P site, P(5) is bonded to one O(15), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the sixth P site, P(6) is bonded to one O(19), one O(23), one O(24), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and  a cornercorner with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 23°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(7), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(6), one Mn(7), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Mn(5), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Mn(2), one Mn(5), and one P(6) atom to form corner-sharing OLiMn2P trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(7), and one P(4) atom to form corner-sharing OLi2MnP trigonal pyramids. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Mn(6), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(6), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(5), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Mn(2), one Mn(5), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(7), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(4), one Mn(4), one Mn(5), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(2), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(7) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(7), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   8.306
_cell_length_c   9.747
_cell_angle_alpha   102.623
_cell_angle_beta   106.483
_cell_angle_gamma   101.137
_symmetry_Int_Tables_number   1
_cell_volume   483.909
_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  0.449  0.903  0.886  1.0
  Li  Li1  1  0.315  0.427  0.668  1.0
  Li  Li2  1  0.268  0.503  0.391  1.0
  Li  Li3  1  0.694  0.574  0.338  1.0
  Mn  Mn4  1  0.071  0.752  0.549  1.0
  Mn  Mn5  1  0.279  0.808  0.280  1.0
  Mn  Mn6  1  0.016  0.006  0.014  1.0
  Mn  Mn7  1  0.661  0.570  0.913  1.0
  Mn  Mn8  1  0.347  0.429  0.085  1.0
  Mn  Mn9  1  0.725  0.200  0.718  1.0
  Mn  Mn10  1  0.918  0.254  0.457  1.0
  P  P11  1  0.098  0.590  0.831  1.0
  P  P12  1  0.236  0.150  0.773  1.0
  P  P13  1  0.600  0.770  0.629  1.0
  P  P14  1  0.398  0.230  0.375  1.0
  P  P15  1  0.765  0.852  0.228  1.0
  P  P16  1  0.904  0.405  0.164  1.0
  O  O17  1  0.125  0.779  0.913  1.0
  O  O18  1  0.078  0.557  0.662  1.0
  O  O19  1  0.249  0.965  0.724  1.0
  O  O20  1  0.035  0.186  0.669  1.0
  O  O21  1  0.220  0.178  0.934  1.0
  O  O22  1  0.309  0.539  0.905  1.0
  O  O23  1  0.118  0.534  0.169  1.0
  O  O24  1  0.377  0.755  0.502  1.0
  O  O25  1  0.251  0.291  0.462  1.0
  O  O26  1  0.451  0.270  0.775  1.0
  O  O27  1  0.543  0.639  0.712  1.0
  O  O28  1  0.692  0.950  0.748  1.0
  O  O29  1  0.279  0.055  0.250  1.0
  O  O30  1  0.454  0.372  0.300  1.0
  O  O31  1  0.549  0.732  0.226  1.0
  O  O32  1  0.752  0.727  0.543  1.0
  O  O33  1  0.606  0.217  0.491  1.0
  O  O34  1  0.895  0.468  0.840  1.0
  O  O35  1  0.696  0.459  0.094  1.0
  O  O36  1  0.771  0.825  0.062  1.0
  O  O37  1  0.963  0.800  0.323  1.0
  O  O38  1  0.772  0.037  0.286  1.0
  O  O39  1  0.931  0.439  0.335  1.0
  O  O40  1  0.894  0.224  0.080  1.0
[/CIF]
.
The material structure described by Li4Mn7(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(20), and one O(3) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(14), one O(23), one O(7), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(16), one O(19), one O(21), and one O(23) atom. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(16), one O(2), one O(21), one O(3), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(13), one O(15), one O(21), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(13), one O(20), one O(24), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(18), one O(19), one O(20), and one O(6) atom. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(19), one O(5), one O(6), and one O(7) atom. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(17), one O(18), and one O(4) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(17), one O(2), one O(22), one O(23), one O(4), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 24°. In the second P site, P(2) is bonded to one O(10), 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 and corners with two equivalent Mn(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(16), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. In the fifth P site, P(5) is bonded to one O(15), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the sixth P site, P(6) is bonded to one O(19), one O(23), one O(24), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and  a cornercorner with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 23°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(7), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(6), one Mn(7), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Mn(5), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Mn(2), one Mn(5), and one P(6) atom to form corner-sharing OLiMn2P trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(7), and one P(4) atom to form corner-sharing OLi2MnP trigonal pyramids. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Mn(6), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(6), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(5), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Mn(2), one Mn(5), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(7), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(4), one Mn(4), one Mn(5), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(2), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(7) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(7), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   8.306
_cell_length_c   9.747
_cell_angle_alpha   102.623
_cell_angle_beta   106.483
_cell_angle_gamma   101.137
_symmetry_Int_Tables_number   1
_cell_volume   483.909
_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  0.449  0.903  0.886  1.0
  Li  Li1  1  0.315  0.427  0.668  1.0
  Li  Li2  1  0.268  0.503  0.391  1.0
  Li  Li3  1  0.694  0.574  0.338  1.0
  Mn  Mn4  1  0.071  0.752  0.549  1.0
  Mn  Mn5  1  0.279  0.808  0.280  1.0
  Mn  Mn6  1  0.016  0.006  0.014  1.0
  Mn  Mn7  1  0.661  0.570  0.913  1.0
  Mn  Mn8  1  0.347  0.429  0.085  1.0
  Mn  Mn9  1  0.725  0.200  0.718  1.0
  Mn  Mn10  1  0.918  0.254  0.457  1.0
  P  P11  1  0.098  0.590  0.831  1.0
  P  P12  1  0.236  0.150  0.773  1.0
  P  P13  1  0.600  0.770  0.629  1.0
  P  P14  1  0.398  0.230  0.375  1.0
  P  P15  1  0.765  0.852  0.228  1.0
  P  P16  1  0.904  0.405  0.164  1.0
  O  O17  1  0.125  0.779  0.913  1.0
  O  O18  1  0.078  0.557  0.662  1.0
  O  O19  1  0.249  0.965  0.724  1.0
  O  O20  1  0.035  0.186  0.669  1.0
  O  O21  1  0.220  0.178  0.934  1.0
  O  O22  1  0.309  0.539  0.905  1.0
  O  O23  1  0.118  0.534  0.169  1.0
  O  O24  1  0.377  0.755  0.502  1.0
  O  O25  1  0.251  0.291  0.462  1.0
  O  O26  1  0.451  0.270  0.775  1.0
  O  O27  1  0.543  0.639  0.712  1.0
  O  O28  1  0.692  0.950  0.748  1.0
  O  O29  1  0.279  0.055  0.250  1.0
  O  O30  1  0.454  0.372  0.300  1.0
  O  O31  1  0.549  0.732  0.226  1.0
  O  O32  1  0.752  0.727  0.543  1.0
  O  O33  1  0.606  0.217  0.491  1.0
  O  O34  1  0.895  0.468  0.840  1.0
  O  O35  1  0.696  0.459  0.094  1.0
  O  O36  1  0.771  0.825  0.062  1.0
  O  O37  1  0.963  0.800  0.323  1.0
  O  O38  1  0.772  0.037  0.286  1.0
  O  O39  1  0.931  0.439  0.335  1.0
  O  O40  1  0.894  0.224  0.080  1.0
[/CIF]
.