The crystal structure described by LiMnF3 crystallizes in the monoclinic P2_1/c 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), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(1), one F(4), one F(5), two equivalent F(3), and two equivalent F(6) atoms. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form distorted corner-sharing MnF6 pentagonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), 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   12.016
_cell_length_b   5.565
_cell_length_c   7.725
_cell_angle_alpha   76.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.141
_cell_formula_units_Z   8
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  0.158  0.461  0.985  1.0
  Li  Li1  1  0.517  0.882  0.718  1.0
  Li  Li2  1  0.017  0.118  0.782  1.0
  Li  Li3  1  0.658  0.539  0.515  1.0
  Li  Li4  1  0.342  0.461  0.485  1.0
  Li  Li5  1  0.983  0.882  0.218  1.0
  Li  Li6  1  0.483  0.118  0.282  1.0
  Li  Li7  1  0.842  0.539  0.015  1.0
  Mn  Mn8  1  0.438  0.318  0.879  1.0
  Mn  Mn9  1  0.761  0.088  0.887  1.0
  Mn  Mn10  1  0.261  0.912  0.613  1.0
  Mn  Mn11  1  0.938  0.682  0.621  1.0
  Mn  Mn12  1  0.062  0.318  0.379  1.0
  Mn  Mn13  1  0.739  0.088  0.387  1.0
  Mn  Mn14  1  0.239  0.912  0.113  1.0
  Mn  Mn15  1  0.562  0.682  0.121  1.0
  F  F16  1  0.264  0.249  0.919  1.0
  F  F17  1  0.231  0.768  0.882  1.0
  F  F18  1  0.571  0.585  0.864  1.0
  F  F19  1  0.897  0.365  0.840  1.0
  F  F20  1  0.912  0.856  0.865  1.0
  F  F21  1  0.580  0.066  0.887  1.0
  F  F22  1  0.080  0.934  0.613  1.0
  F  F23  1  0.412  0.144  0.635  1.0
  F  F24  1  0.397  0.635  0.660  1.0
  F  F25  1  0.071  0.415  0.636  1.0
  F  F26  1  0.731  0.232  0.618  1.0
  F  F27  1  0.764  0.751  0.581  1.0
  F  F28  1  0.236  0.249  0.419  1.0
  F  F29  1  0.269  0.768  0.382  1.0
  F  F30  1  0.929  0.585  0.364  1.0
  F  F31  1  0.603  0.365  0.340  1.0
  F  F32  1  0.588  0.856  0.365  1.0
  F  F33  1  0.920  0.066  0.387  1.0
  F  F34  1  0.420  0.934  0.113  1.0
  F  F35  1  0.088  0.144  0.135  1.0
  F  F36  1  0.103  0.635  0.160  1.0
  F  F37  1  0.429  0.415  0.136  1.0
  F  F38  1  0.769  0.232  0.118  1.0
  F  F39  1  0.736  0.751  0.081  1.0
[/CIF]
.
The crystal structure described by LiMnF3 crystallizes in the monoclinic P2_1/c 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), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(1), one F(4), one F(5), two equivalent F(3), and two equivalent F(6) atoms. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form distorted corner-sharing MnF6 pentagonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), 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   12.016
_cell_length_b   5.565
_cell_length_c   7.725
_cell_angle_alpha   76.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.141
_cell_formula_units_Z   8
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  0.158  0.461  0.985  1.0
  Li  Li1  1  0.517  0.882  0.718  1.0
  Li  Li2  1  0.017  0.118  0.782  1.0
  Li  Li3  1  0.658  0.539  0.515  1.0
  Li  Li4  1  0.342  0.461  0.485  1.0
  Li  Li5  1  0.983  0.882  0.218  1.0
  Li  Li6  1  0.483  0.118  0.282  1.0
  Li  Li7  1  0.842  0.539  0.015  1.0
  Mn  Mn8  1  0.438  0.318  0.879  1.0
  Mn  Mn9  1  0.761  0.088  0.887  1.0
  Mn  Mn10  1  0.261  0.912  0.613  1.0
  Mn  Mn11  1  0.938  0.682  0.621  1.0
  Mn  Mn12  1  0.062  0.318  0.379  1.0
  Mn  Mn13  1  0.739  0.088  0.387  1.0
  Mn  Mn14  1  0.239  0.912  0.113  1.0
  Mn  Mn15  1  0.562  0.682  0.121  1.0
  F  F16  1  0.264  0.249  0.919  1.0
  F  F17  1  0.231  0.768  0.882  1.0
  F  F18  1  0.571  0.585  0.864  1.0
  F  F19  1  0.897  0.365  0.840  1.0
  F  F20  1  0.912  0.856  0.865  1.0
  F  F21  1  0.580  0.066  0.887  1.0
  F  F22  1  0.080  0.934  0.613  1.0
  F  F23  1  0.412  0.144  0.635  1.0
  F  F24  1  0.397  0.635  0.660  1.0
  F  F25  1  0.071  0.415  0.636  1.0
  F  F26  1  0.731  0.232  0.618  1.0
  F  F27  1  0.764  0.751  0.581  1.0
  F  F28  1  0.236  0.249  0.419  1.0
  F  F29  1  0.269  0.768  0.382  1.0
  F  F30  1  0.929  0.585  0.364  1.0
  F  F31  1  0.603  0.365  0.340  1.0
  F  F32  1  0.588  0.856  0.365  1.0
  F  F33  1  0.920  0.066  0.387  1.0
  F  F34  1  0.420  0.934  0.113  1.0
  F  F35  1  0.088  0.144  0.135  1.0
  F  F36  1  0.103  0.635  0.160  1.0
  F  F37  1  0.429  0.415  0.136  1.0
  F  F38  1  0.769  0.232  0.118  1.0
  F  F39  1  0.736  0.751  0.081  1.0
[/CIF]
.