The crystal structure described by LiMnF4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. 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. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.564
_cell_length_b   5.350
_cell_length_c   11.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.363
_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  0.000  0.750  0.326  1.0
  Li  Li1  1  0.000  0.250  0.674  1.0
  Li  Li2  1  0.500  0.250  0.174  1.0
  Li  Li3  1  0.500  0.750  0.826  1.0
  Mn  Mn4  1  0.000  0.750  0.072  1.0
  Mn  Mn5  1  0.000  0.250  0.928  1.0
  Mn  Mn6  1  0.500  0.250  0.428  1.0
  Mn  Mn7  1  0.500  0.750  0.572  1.0
  F  F8  1  0.236  0.101  0.048  1.0
  F  F9  1  0.236  0.601  0.952  1.0
  F  F10  1  0.225  0.598  0.186  1.0
  F  F11  1  0.225  0.098  0.814  1.0
  F  F12  1  0.275  0.098  0.314  1.0
  F  F13  1  0.275  0.598  0.686  1.0
  F  F14  1  0.264  0.101  0.548  1.0
  F  F15  1  0.264  0.601  0.452  1.0
  F  F16  1  0.736  0.899  0.452  1.0
  F  F17  1  0.736  0.399  0.548  1.0
  F  F18  1  0.725  0.902  0.686  1.0
  F  F19  1  0.725  0.402  0.314  1.0
  F  F20  1  0.775  0.902  0.186  1.0
  F  F21  1  0.775  0.402  0.814  1.0
  F  F22  1  0.764  0.399  0.048  1.0
  F  F23  1  0.764  0.899  0.952  1.0
[/CIF]
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The crystal structure described by LiMnF4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. 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. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.564
_cell_length_b   5.350
_cell_length_c   11.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.363
_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  0.000  0.750  0.326  1.0
  Li  Li1  1  0.000  0.250  0.674  1.0
  Li  Li2  1  0.500  0.250  0.174  1.0
  Li  Li3  1  0.500  0.750  0.826  1.0
  Mn  Mn4  1  0.000  0.750  0.072  1.0
  Mn  Mn5  1  0.000  0.250  0.928  1.0
  Mn  Mn6  1  0.500  0.250  0.428  1.0
  Mn  Mn7  1  0.500  0.750  0.572  1.0
  F  F8  1  0.236  0.101  0.048  1.0
  F  F9  1  0.236  0.601  0.952  1.0
  F  F10  1  0.225  0.598  0.186  1.0
  F  F11  1  0.225  0.098  0.814  1.0
  F  F12  1  0.275  0.098  0.314  1.0
  F  F13  1  0.275  0.598  0.686  1.0
  F  F14  1  0.264  0.101  0.548  1.0
  F  F15  1  0.264  0.601  0.452  1.0
  F  F16  1  0.736  0.899  0.452  1.0
  F  F17  1  0.736  0.399  0.548  1.0
  F  F18  1  0.725  0.902  0.686  1.0
  F  F19  1  0.725  0.402  0.314  1.0
  F  F20  1  0.775  0.902  0.186  1.0
  F  F21  1  0.775  0.402  0.814  1.0
  F  F22  1  0.764  0.399  0.048  1.0
  F  F23  1  0.764  0.899  0.952  1.0
[/CIF]
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