The compound described by LiMnF4 crystallizes in the trigonal P3_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(3), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(6), one F(7), and two equivalent F(5) atoms to form distorted MnF7 pentagonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids, and  an edgeedge with one Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(8) atom to form a mixture of corner and edge-sharing MnF6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   10.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   457.617
_cell_formula_units_Z   6
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  0.158  0.747  0.323  1.0
  Li  Li1  1  0.253  0.411  0.657  1.0
  Li  Li2  1  0.589  0.842  0.990  1.0
  Li  Li3  1  0.458  0.328  0.087  1.0
  Li  Li4  1  0.871  0.542  0.754  1.0
  Li  Li5  1  0.672  0.129  0.420  1.0
  Mn  Mn6  1  0.010  0.843  0.012  1.0
  Mn  Mn7  1  0.992  0.370  0.068  1.0
  Mn  Mn8  1  0.378  0.008  0.734  1.0
  Mn  Mn9  1  0.157  0.167  0.345  1.0
  Mn  Mn10  1  0.630  0.622  0.401  1.0
  Mn  Mn11  1  0.833  0.990  0.678  1.0
  F  F12  1  0.095  0.643  0.155  1.0
  F  F13  1  0.277  0.005  0.930  1.0
  F  F14  1  0.181  0.716  0.687  1.0
  F  F15  1  0.995  0.272  0.263  1.0
  F  F16  1  0.284  0.465  0.020  1.0
  F  F17  1  0.185  0.096  0.666  1.0
  F  F18  1  0.548  0.905  0.821  1.0
  F  F19  1  0.357  0.452  0.488  1.0
  F  F20  1  0.535  0.819  0.354  1.0
  F  F21  1  0.172  0.042  0.152  1.0
  F  F22  1  0.428  0.397  0.261  1.0
  F  F23  1  0.312  0.035  0.405  1.0
  F  F24  1  0.728  0.723  0.597  1.0
  F  F25  1  0.567  0.307  0.764  1.0
  F  F26  1  0.723  0.688  0.072  1.0
  F  F27  1  0.870  0.828  0.819  1.0
  F  F28  1  0.910  0.815  0.332  1.0
  F  F29  1  0.740  0.433  0.430  1.0
  F  F30  1  0.603  0.031  0.595  1.0
  F  F31  1  0.969  0.572  0.928  1.0
  F  F32  1  0.693  0.260  0.097  1.0
  F  F33  1  0.965  0.277  0.738  1.0
  F  F34  1  0.958  0.130  0.486  1.0
  F  F35  1  0.904  0.090  0.999  1.0
[/CIF]
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The compound described by LiMnF4 crystallizes in the trigonal P3_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(3), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(6), one F(7), and two equivalent F(5) atoms to form distorted MnF7 pentagonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids, and  an edgeedge with one Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(8) atom to form a mixture of corner and edge-sharing MnF6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   10.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   457.617
_cell_formula_units_Z   6
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  0.158  0.747  0.323  1.0
  Li  Li1  1  0.253  0.411  0.657  1.0
  Li  Li2  1  0.589  0.842  0.990  1.0
  Li  Li3  1  0.458  0.328  0.087  1.0
  Li  Li4  1  0.871  0.542  0.754  1.0
  Li  Li5  1  0.672  0.129  0.420  1.0
  Mn  Mn6  1  0.010  0.843  0.012  1.0
  Mn  Mn7  1  0.992  0.370  0.068  1.0
  Mn  Mn8  1  0.378  0.008  0.734  1.0
  Mn  Mn9  1  0.157  0.167  0.345  1.0
  Mn  Mn10  1  0.630  0.622  0.401  1.0
  Mn  Mn11  1  0.833  0.990  0.678  1.0
  F  F12  1  0.095  0.643  0.155  1.0
  F  F13  1  0.277  0.005  0.930  1.0
  F  F14  1  0.181  0.716  0.687  1.0
  F  F15  1  0.995  0.272  0.263  1.0
  F  F16  1  0.284  0.465  0.020  1.0
  F  F17  1  0.185  0.096  0.666  1.0
  F  F18  1  0.548  0.905  0.821  1.0
  F  F19  1  0.357  0.452  0.488  1.0
  F  F20  1  0.535  0.819  0.354  1.0
  F  F21  1  0.172  0.042  0.152  1.0
  F  F22  1  0.428  0.397  0.261  1.0
  F  F23  1  0.312  0.035  0.405  1.0
  F  F24  1  0.728  0.723  0.597  1.0
  F  F25  1  0.567  0.307  0.764  1.0
  F  F26  1  0.723  0.688  0.072  1.0
  F  F27  1  0.870  0.828  0.819  1.0
  F  F28  1  0.910  0.815  0.332  1.0
  F  F29  1  0.740  0.433  0.430  1.0
  F  F30  1  0.603  0.031  0.595  1.0
  F  F31  1  0.969  0.572  0.928  1.0
  F  F32  1  0.693  0.260  0.097  1.0
  F  F33  1  0.965  0.277  0.738  1.0
  F  F34  1  0.958  0.130  0.486  1.0
  F  F35  1  0.904  0.090  0.999  1.0
[/CIF]
.