The material described by LiMnF3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing MnF6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent F(2)Li3Mn tetrahedra and  an edgeedge with one F(1)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Mn(1) atom to form FLi3Mn tetrahedra that share corners with two equivalent F(1)LiMn3 trigonal pyramids and  an edgeedge with one F(2)Li3Mn tetrahedra. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   6.673
_cell_length_c   5.930
_cell_angle_alpha   88.396
_cell_angle_beta   88.396
_cell_angle_gamma   84.410
_symmetry_Int_Tables_number   1
_cell_volume   262.574
_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  0.671  0.671  0.887  1.0
  Li  Li1  1  0.672  0.328  0.500  1.0
  Li  Li2  1  0.328  0.672  0.500  1.0
  Li  Li3  1  0.329  0.329  0.113  1.0
  Mn  Mn4  1  0.768  0.768  0.311  1.0
  Mn  Mn5  1  0.811  0.189  0.000  1.0
  Mn  Mn6  1  0.189  0.811  0.000  1.0
  Mn  Mn7  1  0.232  0.232  0.689  1.0
  F  F8  1  0.862  0.862  0.947  1.0
  F  F9  1  0.628  0.628  0.583  1.0
  F  F10  1  0.276  0.918  0.673  1.0
  F  F11  1  0.918  0.276  0.673  1.0
  F  F12  1  0.481  0.775  0.132  1.0
  F  F13  1  0.775  0.481  0.132  1.0
  F  F14  1  0.225  0.519  0.868  1.0
  F  F15  1  0.519  0.225  0.868  1.0
  F  F16  1  0.724  0.082  0.327  1.0
  F  F17  1  0.082  0.724  0.327  1.0
  F  F18  1  0.372  0.372  0.417  1.0
  F  F19  1  0.138  0.138  0.053  1.0
[/CIF]
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The material described by LiMnF3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing MnF6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent F(2)Li3Mn tetrahedra and  an edgeedge with one F(1)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Mn(1) atom to form FLi3Mn tetrahedra that share corners with two equivalent F(1)LiMn3 trigonal pyramids and  an edgeedge with one F(2)Li3Mn tetrahedra. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   6.673
_cell_length_c   5.930
_cell_angle_alpha   88.396
_cell_angle_beta   88.396
_cell_angle_gamma   84.410
_symmetry_Int_Tables_number   1
_cell_volume   262.574
_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  0.671  0.671  0.887  1.0
  Li  Li1  1  0.672  0.328  0.500  1.0
  Li  Li2  1  0.328  0.672  0.500  1.0
  Li  Li3  1  0.329  0.329  0.113  1.0
  Mn  Mn4  1  0.768  0.768  0.311  1.0
  Mn  Mn5  1  0.811  0.189  0.000  1.0
  Mn  Mn6  1  0.189  0.811  0.000  1.0
  Mn  Mn7  1  0.232  0.232  0.689  1.0
  F  F8  1  0.862  0.862  0.947  1.0
  F  F9  1  0.628  0.628  0.583  1.0
  F  F10  1  0.276  0.918  0.673  1.0
  F  F11  1  0.918  0.276  0.673  1.0
  F  F12  1  0.481  0.775  0.132  1.0
  F  F13  1  0.775  0.481  0.132  1.0
  F  F14  1  0.225  0.519  0.868  1.0
  F  F15  1  0.519  0.225  0.868  1.0
  F  F16  1  0.724  0.082  0.327  1.0
  F  F17  1  0.082  0.724  0.327  1.0
  F  F18  1  0.372  0.372  0.417  1.0
  F  F19  1  0.138  0.138  0.053  1.0
[/CIF]
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