The crystal structure described by LiMnF3 crystallizes in the orthorhombic Ibam space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with five equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to four equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   144.461
_cell_angle_beta   109.912
_cell_angle_gamma   81.124
_symmetry_Int_Tables_number   1
_cell_volume   255.227
_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  0.864  0.114  0.250  1.0
  Li  Li1  1  0.864  0.614  0.750  1.0
  Li  Li2  1  0.136  0.386  0.250  1.0
  Li  Li3  1  0.136  0.886  0.750  1.0
  Mn  Mn4  1  0.748  0.105  0.643  1.0
  Mn  Mn5  1  0.463  0.605  0.857  1.0
  Mn  Mn6  1  0.537  0.395  0.143  1.0
  Mn  Mn7  1  0.252  0.895  0.357  1.0
  F  F8  1  0.881  0.273  0.608  1.0
  F  F9  1  0.665  0.773  0.892  1.0
  F  F10  1  0.682  0.580  0.102  1.0
  F  F11  1  0.477  0.080  0.398  1.0
  F  F12  1  0.790  0.427  0.364  1.0
  F  F13  1  0.063  0.927  0.136  1.0
  F  F14  1  0.210  0.573  0.636  1.0
  F  F15  1  0.937  0.073  0.864  1.0
  F  F16  1  0.318  0.420  0.898  1.0
  F  F17  1  0.523  0.920  0.602  1.0
  F  F18  1  0.119  0.727  0.392  1.0
  F  F19  1  0.335  0.227  0.108  1.0
[/CIF]
.
The crystal structure described by LiMnF3 crystallizes in the orthorhombic Ibam space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with five equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to four equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   144.461
_cell_angle_beta   109.912
_cell_angle_gamma   81.124
_symmetry_Int_Tables_number   1
_cell_volume   255.227
_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  0.864  0.114  0.250  1.0
  Li  Li1  1  0.864  0.614  0.750  1.0
  Li  Li2  1  0.136  0.386  0.250  1.0
  Li  Li3  1  0.136  0.886  0.750  1.0
  Mn  Mn4  1  0.748  0.105  0.643  1.0
  Mn  Mn5  1  0.463  0.605  0.857  1.0
  Mn  Mn6  1  0.537  0.395  0.143  1.0
  Mn  Mn7  1  0.252  0.895  0.357  1.0
  F  F8  1  0.881  0.273  0.608  1.0
  F  F9  1  0.665  0.773  0.892  1.0
  F  F10  1  0.682  0.580  0.102  1.0
  F  F11  1  0.477  0.080  0.398  1.0
  F  F12  1  0.790  0.427  0.364  1.0
  F  F13  1  0.063  0.927  0.136  1.0
  F  F14  1  0.210  0.573  0.636  1.0
  F  F15  1  0.937  0.073  0.864  1.0
  F  F16  1  0.318  0.420  0.898  1.0
  F  F17  1  0.523  0.920  0.602  1.0
  F  F18  1  0.119  0.727  0.392  1.0
  F  F19  1  0.335  0.227  0.108  1.0
[/CIF]
.