The material described by LiMnF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.225
_cell_length_b   3.803
_cell_length_c   6.945
_cell_angle_alpha   87.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.784
_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  0.545  0.728  0.792  1.0
  Li  Li1  1  0.955  0.728  0.292  1.0
  Li  Li2  1  0.045  0.272  0.708  1.0
  Li  Li3  1  0.455  0.272  0.208  1.0
  Mn  Mn4  1  0.221  0.752  0.980  1.0
  Mn  Mn5  1  0.279  0.752  0.480  1.0
  Mn  Mn6  1  0.721  0.248  0.520  1.0
  Mn  Mn7  1  0.779  0.248  0.020  1.0
  F  F8  1  0.108  0.781  0.658  1.0
  F  F9  1  0.392  0.781  0.158  1.0
  F  F10  1  0.365  0.710  0.763  1.0
  F  F11  1  0.644  0.747  0.556  1.0
  F  F12  1  0.135  0.710  0.263  1.0
  F  F13  1  0.856  0.747  0.056  1.0
  F  F14  1  0.144  0.253  0.944  1.0
  F  F15  1  0.865  0.290  0.737  1.0
  F  F16  1  0.356  0.253  0.444  1.0
  F  F17  1  0.635  0.290  0.237  1.0
  F  F18  1  0.608  0.219  0.842  1.0
  F  F19  1  0.892  0.219  0.342  1.0
[/CIF]
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The material described by LiMnF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.225
_cell_length_b   3.803
_cell_length_c   6.945
_cell_angle_alpha   87.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.784
_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  0.545  0.728  0.792  1.0
  Li  Li1  1  0.955  0.728  0.292  1.0
  Li  Li2  1  0.045  0.272  0.708  1.0
  Li  Li3  1  0.455  0.272  0.208  1.0
  Mn  Mn4  1  0.221  0.752  0.980  1.0
  Mn  Mn5  1  0.279  0.752  0.480  1.0
  Mn  Mn6  1  0.721  0.248  0.520  1.0
  Mn  Mn7  1  0.779  0.248  0.020  1.0
  F  F8  1  0.108  0.781  0.658  1.0
  F  F9  1  0.392  0.781  0.158  1.0
  F  F10  1  0.365  0.710  0.763  1.0
  F  F11  1  0.644  0.747  0.556  1.0
  F  F12  1  0.135  0.710  0.263  1.0
  F  F13  1  0.856  0.747  0.056  1.0
  F  F14  1  0.144  0.253  0.944  1.0
  F  F15  1  0.865  0.290  0.737  1.0
  F  F16  1  0.356  0.253  0.444  1.0
  F  F17  1  0.635  0.290  0.237  1.0
  F  F18  1  0.608  0.219  0.842  1.0
  F  F19  1  0.892  0.219  0.342  1.0
[/CIF]
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