The compound described by LiMnF4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form edge-sharing LiF6 octahedra. Mn(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.756
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.558
_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  0.005  0.013  0.990  1.0
  Li  Li1  1  0.505  0.513  0.510  1.0
  Li  Li2  1  0.495  0.013  0.490  1.0
  Li  Li3  1  0.995  0.513  0.010  1.0
  Mn  Mn4  1  0.535  0.168  0.149  1.0
  Mn  Mn5  1  0.035  0.668  0.351  1.0
  Mn  Mn6  1  0.965  0.168  0.649  1.0
  Mn  Mn7  1  0.465  0.668  0.851  1.0
  F  F8  1  0.287  0.771  0.011  1.0
  F  F9  1  0.233  0.261  0.060  1.0
  F  F10  1  0.858  0.534  0.206  1.0
  F  F11  1  0.835  0.017  0.198  1.0
  F  F12  1  0.335  0.517  0.302  1.0
  F  F13  1  0.358  0.034  0.294  1.0
  F  F14  1  0.733  0.761  0.440  1.0
  F  F15  1  0.787  0.271  0.489  1.0
  F  F16  1  0.213  0.771  0.511  1.0
  F  F17  1  0.267  0.261  0.560  1.0
  F  F18  1  0.642  0.534  0.706  1.0
  F  F19  1  0.665  0.017  0.698  1.0
  F  F20  1  0.165  0.517  0.802  1.0
  F  F21  1  0.142  0.034  0.794  1.0
  F  F22  1  0.767  0.761  0.940  1.0
  F  F23  1  0.713  0.271  0.989  1.0
[/CIF]
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The compound described by LiMnF4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form edge-sharing LiF6 octahedra. Mn(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.756
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.558
_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  0.005  0.013  0.990  1.0
  Li  Li1  1  0.505  0.513  0.510  1.0
  Li  Li2  1  0.495  0.013  0.490  1.0
  Li  Li3  1  0.995  0.513  0.010  1.0
  Mn  Mn4  1  0.535  0.168  0.149  1.0
  Mn  Mn5  1  0.035  0.668  0.351  1.0
  Mn  Mn6  1  0.965  0.168  0.649  1.0
  Mn  Mn7  1  0.465  0.668  0.851  1.0
  F  F8  1  0.287  0.771  0.011  1.0
  F  F9  1  0.233  0.261  0.060  1.0
  F  F10  1  0.858  0.534  0.206  1.0
  F  F11  1  0.835  0.017  0.198  1.0
  F  F12  1  0.335  0.517  0.302  1.0
  F  F13  1  0.358  0.034  0.294  1.0
  F  F14  1  0.733  0.761  0.440  1.0
  F  F15  1  0.787  0.271  0.489  1.0
  F  F16  1  0.213  0.771  0.511  1.0
  F  F17  1  0.267  0.261  0.560  1.0
  F  F18  1  0.642  0.534  0.706  1.0
  F  F19  1  0.665  0.017  0.698  1.0
  F  F20  1  0.165  0.517  0.802  1.0
  F  F21  1  0.142  0.034  0.794  1.0
  F  F22  1  0.767  0.761  0.940  1.0
  F  F23  1  0.713  0.271  0.989  1.0
[/CIF]
.