The compound described by LiMn3OF8 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(3), one F(5), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra, corners with two equivalent Mn(6)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-69°. In the second Li site, Li(2) is bonded to one F(10), one F(15), one F(16), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-69°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(14), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(6), and one F(8) atom to form MnOF5 octahedra that share corners with four equivalent Mn(6)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the third Mn site, Mn(3) is bonded to one O(2), one F(10), one F(2), one F(4), one F(5), and one F(9) atom to form MnOF5 octahedra that share corners with four equivalent Mn(5)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(12), one F(13), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to one F(10), one F(13), one F(16), one F(2), one F(4), and one F(9) atom to form MnF6 octahedra that share corners with four equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the sixth Mn site, Mn(6) is bonded to one F(1), one F(11), one F(12), one F(15), one F(3), and one F(8) atom to form MnF6 octahedra that share corners with four equivalent Mn(2)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Mn(3) and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Mn(1) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Mn(1) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(6) atom. In the sixteenth F site, F(16) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.138
_cell_length_c   23.157
_cell_angle_alpha   80.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.939
_cell_formula_units_Z   4
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  0.016  0.100  0.466  1.0
  Li  Li1  1  0.984  0.100  0.966  1.0
  Li  Li2  1  0.513  0.882  0.035  1.0
  Li  Li3  1  0.487  0.882  0.535  1.0
  Mn  Mn4  1  0.145  0.770  0.757  1.0
  Mn  Mn5  1  0.041  0.623  0.381  1.0
  Mn  Mn6  1  0.028  0.868  0.120  1.0
  Mn  Mn7  1  0.959  0.623  0.881  1.0
  Mn  Mn8  1  0.972  0.868  0.620  1.0
  Mn  Mn9  1  0.855  0.770  0.257  1.0
  Mn  Mn10  1  0.739  0.378  0.746  1.0
  Mn  Mn11  1  0.532  0.360  0.117  1.0
  Mn  Mn12  1  0.528  0.113  0.384  1.0
  Mn  Mn13  1  0.472  0.113  0.884  1.0
  Mn  Mn14  1  0.468  0.360  0.617  1.0
  Mn  Mn15  1  0.261  0.378  0.246  1.0
  O  O16  1  0.046  0.532  0.305  1.0
  O  O17  1  0.030  0.651  0.196  1.0
  O  O18  1  0.954  0.532  0.805  1.0
  O  O19  1  0.970  0.651  0.696  1.0
  F  F20  1  0.287  0.927  0.353  1.0
  F  F21  1  0.279  0.145  0.149  1.0
  F  F22  1  0.218  0.298  0.912  1.0
  F  F23  1  0.253  0.635  0.585  1.0
  F  F24  1  0.014  0.085  0.046  1.0
  F  F25  1  0.015  0.746  0.452  1.0
  F  F26  1  0.012  0.093  0.251  1.0
  F  F27  1  0.988  0.093  0.751  1.0
  F  F28  1  0.985  0.746  0.952  1.0
  F  F29  1  0.986  0.085  0.546  1.0
  F  F30  1  0.782  0.298  0.412  1.0
  F  F31  1  0.747  0.635  0.085  1.0
  F  F32  1  0.713  0.927  0.853  1.0
  F  F33  1  0.721  0.145  0.649  1.0
  F  F34  1  0.785  0.850  0.347  1.0
  F  F35  1  0.783  0.068  0.146  1.0
  F  F36  1  0.716  0.684  0.590  1.0
  F  F37  1  0.751  0.341  0.915  1.0
  F  F38  1  0.523  0.351  0.311  1.0
  F  F39  1  0.538  0.473  0.191  1.0
  F  F40  1  0.557  0.894  0.246  1.0
  F  F41  1  0.514  0.887  0.455  1.0
  F  F42  1  0.512  0.241  0.046  1.0
  F  F43  1  0.486  0.887  0.955  1.0
  F  F44  1  0.488  0.241  0.546  1.0
  F  F45  1  0.443  0.894  0.746  1.0
  F  F46  1  0.477  0.351  0.811  1.0
  F  F47  1  0.462  0.473  0.691  1.0
  F  F48  1  0.249  0.341  0.415  1.0
  F  F49  1  0.284  0.684  0.090  1.0
  F  F50  1  0.215  0.850  0.847  1.0
  F  F51  1  0.217  0.068  0.646  1.0
[/CIF]
.
The compound described by LiMn3OF8 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(3), one F(5), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra, corners with two equivalent Mn(6)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-69°. In the second Li site, Li(2) is bonded to one F(10), one F(15), one F(16), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-69°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(14), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(6), and one F(8) atom to form MnOF5 octahedra that share corners with four equivalent Mn(6)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the third Mn site, Mn(3) is bonded to one O(2), one F(10), one F(2), one F(4), one F(5), and one F(9) atom to form MnOF5 octahedra that share corners with four equivalent Mn(5)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(12), one F(13), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to one F(10), one F(13), one F(16), one F(2), one F(4), and one F(9) atom to form MnF6 octahedra that share corners with four equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the sixth Mn site, Mn(6) is bonded to one F(1), one F(11), one F(12), one F(15), one F(3), and one F(8) atom to form MnF6 octahedra that share corners with four equivalent Mn(2)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Mn(3) and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Mn(1) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Mn(1) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(6) atom. In the sixteenth F site, F(16) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.138
_cell_length_c   23.157
_cell_angle_alpha   80.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.939
_cell_formula_units_Z   4
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  0.016  0.100  0.466  1.0
  Li  Li1  1  0.984  0.100  0.966  1.0
  Li  Li2  1  0.513  0.882  0.035  1.0
  Li  Li3  1  0.487  0.882  0.535  1.0
  Mn  Mn4  1  0.145  0.770  0.757  1.0
  Mn  Mn5  1  0.041  0.623  0.381  1.0
  Mn  Mn6  1  0.028  0.868  0.120  1.0
  Mn  Mn7  1  0.959  0.623  0.881  1.0
  Mn  Mn8  1  0.972  0.868  0.620  1.0
  Mn  Mn9  1  0.855  0.770  0.257  1.0
  Mn  Mn10  1  0.739  0.378  0.746  1.0
  Mn  Mn11  1  0.532  0.360  0.117  1.0
  Mn  Mn12  1  0.528  0.113  0.384  1.0
  Mn  Mn13  1  0.472  0.113  0.884  1.0
  Mn  Mn14  1  0.468  0.360  0.617  1.0
  Mn  Mn15  1  0.261  0.378  0.246  1.0
  O  O16  1  0.046  0.532  0.305  1.0
  O  O17  1  0.030  0.651  0.196  1.0
  O  O18  1  0.954  0.532  0.805  1.0
  O  O19  1  0.970  0.651  0.696  1.0
  F  F20  1  0.287  0.927  0.353  1.0
  F  F21  1  0.279  0.145  0.149  1.0
  F  F22  1  0.218  0.298  0.912  1.0
  F  F23  1  0.253  0.635  0.585  1.0
  F  F24  1  0.014  0.085  0.046  1.0
  F  F25  1  0.015  0.746  0.452  1.0
  F  F26  1  0.012  0.093  0.251  1.0
  F  F27  1  0.988  0.093  0.751  1.0
  F  F28  1  0.985  0.746  0.952  1.0
  F  F29  1  0.986  0.085  0.546  1.0
  F  F30  1  0.782  0.298  0.412  1.0
  F  F31  1  0.747  0.635  0.085  1.0
  F  F32  1  0.713  0.927  0.853  1.0
  F  F33  1  0.721  0.145  0.649  1.0
  F  F34  1  0.785  0.850  0.347  1.0
  F  F35  1  0.783  0.068  0.146  1.0
  F  F36  1  0.716  0.684  0.590  1.0
  F  F37  1  0.751  0.341  0.915  1.0
  F  F38  1  0.523  0.351  0.311  1.0
  F  F39  1  0.538  0.473  0.191  1.0
  F  F40  1  0.557  0.894  0.246  1.0
  F  F41  1  0.514  0.887  0.455  1.0
  F  F42  1  0.512  0.241  0.046  1.0
  F  F43  1  0.486  0.887  0.955  1.0
  F  F44  1  0.488  0.241  0.546  1.0
  F  F45  1  0.443  0.894  0.746  1.0
  F  F46  1  0.477  0.351  0.811  1.0
  F  F47  1  0.462  0.473  0.691  1.0
  F  F48  1  0.249  0.341  0.415  1.0
  F  F49  1  0.284  0.684  0.090  1.0
  F  F50  1  0.215  0.850  0.847  1.0
  F  F51  1  0.217  0.068  0.646  1.0
[/CIF]
.