The crystal structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three 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 T-shaped 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 two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   5.898
_cell_length_c   10.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.641
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.034  0.750  0.240  1.0
  Mn  Mn5  1  0.534  0.250  0.260  1.0
  Mn  Mn6  1  0.466  0.750  0.740  1.0
  Mn  Mn7  1  0.966  0.250  0.760  1.0
  F  F8  1  0.256  0.750  0.090  1.0
  F  F9  1  0.768  0.502  0.170  1.0
  F  F10  1  0.768  0.998  0.170  1.0
  F  F11  1  0.330  0.250  0.102  1.0
  F  F12  1  0.830  0.750  0.398  1.0
  F  F13  1  0.268  0.002  0.330  1.0
  F  F14  1  0.268  0.498  0.330  1.0
  F  F15  1  0.756  0.250  0.410  1.0
  F  F16  1  0.244  0.750  0.590  1.0
  F  F17  1  0.732  0.502  0.670  1.0
  F  F18  1  0.732  0.998  0.670  1.0
  F  F19  1  0.170  0.250  0.602  1.0
  F  F20  1  0.670  0.750  0.898  1.0
  F  F21  1  0.232  0.002  0.830  1.0
  F  F22  1  0.232  0.498  0.830  1.0
  F  F23  1  0.744  0.250  0.910  1.0
[/CIF]
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The crystal structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three 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 T-shaped 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 two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   5.898
_cell_length_c   10.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.641
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.034  0.750  0.240  1.0
  Mn  Mn5  1  0.534  0.250  0.260  1.0
  Mn  Mn6  1  0.466  0.750  0.740  1.0
  Mn  Mn7  1  0.966  0.250  0.760  1.0
  F  F8  1  0.256  0.750  0.090  1.0
  F  F9  1  0.768  0.502  0.170  1.0
  F  F10  1  0.768  0.998  0.170  1.0
  F  F11  1  0.330  0.250  0.102  1.0
  F  F12  1  0.830  0.750  0.398  1.0
  F  F13  1  0.268  0.002  0.330  1.0
  F  F14  1  0.268  0.498  0.330  1.0
  F  F15  1  0.756  0.250  0.410  1.0
  F  F16  1  0.244  0.750  0.590  1.0
  F  F17  1  0.732  0.502  0.670  1.0
  F  F18  1  0.732  0.998  0.670  1.0
  F  F19  1  0.170  0.250  0.602  1.0
  F  F20  1  0.670  0.750  0.898  1.0
  F  F21  1  0.232  0.002  0.830  1.0
  F  F22  1  0.232  0.498  0.830  1.0
  F  F23  1  0.744  0.250  0.910  1.0
[/CIF]
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