The crystal structure described by LiMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with eight equivalent Mn(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-82°. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two 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 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.466
_cell_length_c   7.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.255
_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  0.014  0.021  0.250  1.0
  Li  Li1  1  0.514  0.479  0.750  1.0
  Li  Li2  1  0.486  0.521  0.250  1.0
  Li  Li3  1  0.986  0.979  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.642  0.107  0.750  1.0
  F  F9  1  0.159  0.164  0.923  1.0
  F  F10  1  0.159  0.164  0.577  1.0
  F  F11  1  0.659  0.336  0.077  1.0
  F  F12  1  0.659  0.336  0.423  1.0
  F  F13  1  0.142  0.393  0.250  1.0
  F  F14  1  0.858  0.607  0.750  1.0
  F  F15  1  0.341  0.664  0.923  1.0
  F  F16  1  0.341  0.664  0.577  1.0
  F  F17  1  0.841  0.836  0.077  1.0
  F  F18  1  0.841  0.836  0.423  1.0
  F  F19  1  0.358  0.893  0.250  1.0
[/CIF]
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The crystal structure described by LiMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with eight equivalent Mn(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-82°. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two 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 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.466
_cell_length_c   7.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.255
_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  0.014  0.021  0.250  1.0
  Li  Li1  1  0.514  0.479  0.750  1.0
  Li  Li2  1  0.486  0.521  0.250  1.0
  Li  Li3  1  0.986  0.979  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.642  0.107  0.750  1.0
  F  F9  1  0.159  0.164  0.923  1.0
  F  F10  1  0.159  0.164  0.577  1.0
  F  F11  1  0.659  0.336  0.077  1.0
  F  F12  1  0.659  0.336  0.423  1.0
  F  F13  1  0.142  0.393  0.250  1.0
  F  F14  1  0.858  0.607  0.750  1.0
  F  F15  1  0.341  0.664  0.923  1.0
  F  F16  1  0.341  0.664  0.577  1.0
  F  F17  1  0.841  0.836  0.077  1.0
  F  F18  1  0.841  0.836  0.423  1.0
  F  F19  1  0.358  0.893  0.250  1.0
[/CIF]
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