The structure described by LiMnF4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one F(1), one F(2), one F(4), and three equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-34°. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of edge and corner-sharing FLi3Mn trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   6.975
_cell_length_c   6.430
_cell_angle_alpha   72.482
_cell_angle_beta   90.000
_cell_angle_gamma   73.629
_symmetry_Int_Tables_number   1
_cell_volume   160.639
_cell_formula_units_Z   2
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  0.199  0.602  0.809  1.0
  Li  Li1  1  0.801  0.398  0.191  1.0
  Mn  Mn2  1  0.109  0.782  0.199  1.0
  Mn  Mn3  1  0.891  0.218  0.801  1.0
  F  F4  1  0.060  0.880  0.884  1.0
  F  F5  1  0.139  0.722  0.493  1.0
  F  F6  1  0.746  0.507  0.841  1.0
  F  F7  1  0.617  0.765  0.195  1.0
  F  F8  1  0.383  0.235  0.805  1.0
  F  F9  1  0.254  0.493  0.159  1.0
  F  F10  1  0.861  0.278  0.507  1.0
  F  F11  1  0.940  0.120  0.116  1.0
[/CIF]
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The structure described by LiMnF4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one F(1), one F(2), one F(4), and three equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-34°. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of edge and corner-sharing FLi3Mn trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   6.975
_cell_length_c   6.430
_cell_angle_alpha   72.482
_cell_angle_beta   90.000
_cell_angle_gamma   73.629
_symmetry_Int_Tables_number   1
_cell_volume   160.639
_cell_formula_units_Z   2
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  0.199  0.602  0.809  1.0
  Li  Li1  1  0.801  0.398  0.191  1.0
  Mn  Mn2  1  0.109  0.782  0.199  1.0
  Mn  Mn3  1  0.891  0.218  0.801  1.0
  F  F4  1  0.060  0.880  0.884  1.0
  F  F5  1  0.139  0.722  0.493  1.0
  F  F6  1  0.746  0.507  0.841  1.0
  F  F7  1  0.617  0.765  0.195  1.0
  F  F8  1  0.383  0.235  0.805  1.0
  F  F9  1  0.254  0.493  0.159  1.0
  F  F10  1  0.861  0.278  0.507  1.0
  F  F11  1  0.940  0.120  0.116  1.0
[/CIF]
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