The structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(2), one F(20), one F(24), one F(27), and one F(32) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(8)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Li site, Li(2) is bonded to one F(21), one F(23), one F(3), one F(5), one F(7), and one F(8) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Li site, Li(3) is bonded to one F(11), one F(13), one F(18), one F(23), one F(28), and one F(4) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth Li site, Li(4) is bonded to one F(12), one F(17), one F(19), one F(2), one F(3), and one F(6) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(7)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the fifth Li site, Li(5) is bonded to one F(14), one F(16), one F(21), one F(27), one F(30), and one F(31) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Li site, Li(6) is bonded to one F(10), one F(15), one F(20), one F(22), one F(29), and one F(5) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Li site, Li(7) is bonded to one F(10), one F(12), one F(25), one F(26), one F(28), and one F(30) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the eighth Li site, Li(8) is bonded to one F(1), one F(13), one F(22), one F(31), one F(6), and one F(9) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(14), one F(22), one F(4), one F(6), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(8)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Mn site, Mn(2) is bonded to one F(14), one F(16), one F(30), one F(31), one F(32), and one F(8) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Mn site, Mn(3) is bonded to one F(13), one F(18), one F(24), one F(28), one F(4), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(12), one F(16), one F(18), one F(25), and one F(26) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fifth Mn site, Mn(5) is bonded to one F(15), one F(17), one F(21), one F(23), one F(7), and one F(8) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Mn site, Mn(6) is bonded to one F(15), one F(20), one F(26), one F(29), one F(5), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Mn site, Mn(7) is bonded to one F(1), one F(17), one F(19), one F(2), one F(25), and one F(3) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the eighth Mn site, Mn(8) is bonded to one F(11), one F(19), one F(24), one F(27), one F(29), and one F(32) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(8), one Mn(1), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one Mn(7) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(6), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(8), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(8), one Mn(1), and one Mn(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(7), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(7), and one Mn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(8), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(5), and one Mn(6) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(2), and one Mn(4) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(5), and one Mn(7) atom. In the eighteenth F site, F(18) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(7), and one Mn(8) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(6), and one Mn(6) atom. In the twenty-first F site, F(21) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one Mn(5) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(8), and one Mn(1) atom. In the twenty-third F site, F(23) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Mn(5) atom. In the twenty-fourth F site, F(24) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Mn(8) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one Mn(7) atom. In the twenty-sixth F site, F(26) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one Mn(6) atom. In the twenty-seventh F site, F(27) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one Mn(8) atom. In the twenty-eighth F site, F(28) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(7), and one Mn(3) atom. In the twenty-ninth F site, F(29) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(6), and one Mn(8) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(7), and one Mn(2) atom. In the thirty-first F site, F(31) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(8), and one Mn(2) atom. In the thirty-second F site, F(32) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(8) atom. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   10.179
_cell_length_c   10.186
_cell_angle_alpha   85.026
_cell_angle_beta   107.169
_cell_angle_gamma   107.099
_symmetry_Int_Tables_number   1
_cell_volume   569.494
_cell_formula_units_Z   8
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  0.877  0.749  0.001  1.0
  Li  Li1  1  0.873  0.250  0.502  1.0
  Li  Li2  1  0.371  1.000  0.248  1.0
  Li  Li3  1  0.122  0.503  0.250  1.0
  Li  Li4  1  0.875  0.496  0.748  1.0
  Li  Li5  1  0.627  0.003  0.750  1.0
  Li  Li6  1  0.133  0.754  0.496  1.0
  Li  Li7  1  0.122  0.251  0.997  1.0
  Mn  Mn8  1  0.637  0.255  0.999  1.0
  Mn  Mn9  1  0.365  0.501  0.746  1.0
  Mn  Mn10  1  0.881  0.001  0.247  1.0
  Mn  Mn11  1  0.623  0.755  0.501  1.0
  Mn  Mn12  1  0.380  0.245  0.500  1.0
  Mn  Mn13  1  0.117  0.999  0.755  1.0
  Mn  Mn14  1  0.636  0.500  0.255  1.0
  Mn  Mn15  1  0.363  0.745  0.000  1.0
  F  F16  1  0.493  0.342  0.097  1.0
  F  F17  1  0.862  0.600  0.165  1.0
  F  F18  1  0.867  0.411  0.353  1.0
  F  F19  1  0.651  0.100  0.160  1.0
  F  F20  1  0.901  0.099  0.665  1.0
  F  F21  1  0.956  0.353  0.087  1.0
  F  F22  1  0.050  0.159  0.402  1.0
  F  F23  1  0.240  0.344  0.588  1.0
  F  F24  1  0.309  0.155  0.913  1.0
  F  F25  1  0.492  0.853  0.591  1.0
  F  F26  1  0.234  0.835  0.099  1.0
  F  F27  1  0.306  0.666  0.401  1.0
  F  F28  1  0.103  0.091  0.149  1.0
  F  F29  1  0.608  0.415  0.846  1.0
  F  F30  1  0.345  0.087  0.656  1.0
  F  F31  1  0.607  0.599  0.659  1.0
  F  F32  1  0.395  0.402  0.343  1.0
  F  F33  1  0.654  0.914  0.347  1.0
  F  F34  1  0.394  0.587  0.157  1.0
  F  F35  1  0.895  0.911  0.853  1.0
  F  F36  1  0.696  0.334  0.600  1.0
  F  F37  1  0.763  0.165  0.899  1.0
  F  F38  1  0.512  0.148  0.411  1.0
  F  F39  1  0.689  0.845  0.089  1.0
  F  F40  1  0.763  0.655  0.413  1.0
  F  F41  1  0.953  0.841  0.599  1.0
  F  F42  1  0.046  0.647  0.909  1.0
  F  F43  1  0.099  0.901  0.336  1.0
  F  F44  1  0.350  0.902  0.843  1.0
  F  F45  1  0.133  0.588  0.648  1.0
  F  F46  1  0.141  0.401  0.837  1.0
  F  F47  1  0.512  0.659  0.904  1.0
[/CIF]
.
The structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(2), one F(20), one F(24), one F(27), and one F(32) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(8)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Li site, Li(2) is bonded to one F(21), one F(23), one F(3), one F(5), one F(7), and one F(8) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Li site, Li(3) is bonded to one F(11), one F(13), one F(18), one F(23), one F(28), and one F(4) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth Li site, Li(4) is bonded to one F(12), one F(17), one F(19), one F(2), one F(3), and one F(6) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(7)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the fifth Li site, Li(5) is bonded to one F(14), one F(16), one F(21), one F(27), one F(30), and one F(31) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Li site, Li(6) is bonded to one F(10), one F(15), one F(20), one F(22), one F(29), and one F(5) atom to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Mn(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Li site, Li(7) is bonded to one F(10), one F(12), one F(25), one F(26), one F(28), and one F(30) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the eighth Li site, Li(8) is bonded to one F(1), one F(13), one F(22), one F(31), one F(6), and one F(9) atom to form LiF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(14), one F(22), one F(4), one F(6), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(8)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Mn site, Mn(2) is bonded to one F(14), one F(16), one F(30), one F(31), one F(32), and one F(8) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Mn site, Mn(3) is bonded to one F(13), one F(18), one F(24), one F(28), one F(4), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(12), one F(16), one F(18), one F(25), and one F(26) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(7)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fifth Mn site, Mn(5) is bonded to one F(15), one F(17), one F(21), one F(23), one F(7), and one F(8) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Mn site, Mn(6) is bonded to one F(15), one F(20), one F(26), one F(29), one F(5), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Mn site, Mn(7) is bonded to one F(1), one F(17), one F(19), one F(2), one F(25), and one F(3) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(7)F6 octahedra,  a cornercorner with one Li(8)F6 octahedra,  a cornercorner with one Mn(1)F6 octahedra,  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(5)F6 octahedra,  a cornercorner with one Mn(8)F6 octahedra, and edges with two equivalent Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the eighth Mn site, Mn(8) is bonded to one F(11), one F(19), one F(24), one F(27), one F(29), and one F(32) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Li(5)F6 octahedra,  a cornercorner with one Li(6)F6 octahedra,  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(6)F6 octahedra,  a cornercorner with one Mn(7)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(8), one Mn(1), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one Mn(7) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(6), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(8), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(8), one Mn(1), and one Mn(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(7), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(7), and one Mn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(8), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(5), and one Mn(6) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(2), and one Mn(4) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(5), and one Mn(7) atom. In the eighteenth F site, F(18) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(7), and one Mn(8) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(6), and one Mn(6) atom. In the twenty-first F site, F(21) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one Mn(5) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(8), and one Mn(1) atom. In the twenty-third F site, F(23) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Mn(5) atom. In the twenty-fourth F site, F(24) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Mn(8) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one Mn(7) atom. In the twenty-sixth F site, F(26) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one Mn(6) atom. In the twenty-seventh F site, F(27) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one Mn(8) atom. In the twenty-eighth F site, F(28) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(7), and one Mn(3) atom. In the twenty-ninth F site, F(29) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(6), and one Mn(8) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(7), and one Mn(2) atom. In the thirty-first F site, F(31) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(8), and one Mn(2) atom. In the thirty-second F site, F(32) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(8) atom. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   10.179
_cell_length_c   10.186
_cell_angle_alpha   85.026
_cell_angle_beta   107.169
_cell_angle_gamma   107.099
_symmetry_Int_Tables_number   1
_cell_volume   569.494
_cell_formula_units_Z   8
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  0.877  0.749  0.001  1.0
  Li  Li1  1  0.873  0.250  0.502  1.0
  Li  Li2  1  0.371  1.000  0.248  1.0
  Li  Li3  1  0.122  0.503  0.250  1.0
  Li  Li4  1  0.875  0.496  0.748  1.0
  Li  Li5  1  0.627  0.003  0.750  1.0
  Li  Li6  1  0.133  0.754  0.496  1.0
  Li  Li7  1  0.122  0.251  0.997  1.0
  Mn  Mn8  1  0.637  0.255  0.999  1.0
  Mn  Mn9  1  0.365  0.501  0.746  1.0
  Mn  Mn10  1  0.881  0.001  0.247  1.0
  Mn  Mn11  1  0.623  0.755  0.501  1.0
  Mn  Mn12  1  0.380  0.245  0.500  1.0
  Mn  Mn13  1  0.117  0.999  0.755  1.0
  Mn  Mn14  1  0.636  0.500  0.255  1.0
  Mn  Mn15  1  0.363  0.745  0.000  1.0
  F  F16  1  0.493  0.342  0.097  1.0
  F  F17  1  0.862  0.600  0.165  1.0
  F  F18  1  0.867  0.411  0.353  1.0
  F  F19  1  0.651  0.100  0.160  1.0
  F  F20  1  0.901  0.099  0.665  1.0
  F  F21  1  0.956  0.353  0.087  1.0
  F  F22  1  0.050  0.159  0.402  1.0
  F  F23  1  0.240  0.344  0.588  1.0
  F  F24  1  0.309  0.155  0.913  1.0
  F  F25  1  0.492  0.853  0.591  1.0
  F  F26  1  0.234  0.835  0.099  1.0
  F  F27  1  0.306  0.666  0.401  1.0
  F  F28  1  0.103  0.091  0.149  1.0
  F  F29  1  0.608  0.415  0.846  1.0
  F  F30  1  0.345  0.087  0.656  1.0
  F  F31  1  0.607  0.599  0.659  1.0
  F  F32  1  0.395  0.402  0.343  1.0
  F  F33  1  0.654  0.914  0.347  1.0
  F  F34  1  0.394  0.587  0.157  1.0
  F  F35  1  0.895  0.911  0.853  1.0
  F  F36  1  0.696  0.334  0.600  1.0
  F  F37  1  0.763  0.165  0.899  1.0
  F  F38  1  0.512  0.148  0.411  1.0
  F  F39  1  0.689  0.845  0.089  1.0
  F  F40  1  0.763  0.655  0.413  1.0
  F  F41  1  0.953  0.841  0.599  1.0
  F  F42  1  0.046  0.647  0.909  1.0
  F  F43  1  0.099  0.901  0.336  1.0
  F  F44  1  0.350  0.902  0.843  1.0
  F  F45  1  0.133  0.588  0.648  1.0
  F  F46  1  0.141  0.401  0.837  1.0
  F  F47  1  0.512  0.659  0.904  1.0
[/CIF]
.