The compound 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 distorted trigonal pyramidal geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(3), one F(4), one F(5), and two equivalent F(6) 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(3), one F(4), one F(5), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form FLiMn3 tetrahedra that share corners with two equivalent F(5)Li2Mn2 tetrahedra, corners with two equivalent F(2)LiMn3 tetrahedra, and  an edgeedge with one F(5)Li2Mn2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Li(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   7.133
_cell_length_c   7.881
_cell_angle_alpha   65.526
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.216
_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  0.982  0.248  0.159  1.0
  Li  Li1  1  0.518  0.748  0.159  1.0
  Li  Li2  1  0.258  0.211  0.511  1.0
  Li  Li3  1  0.758  0.289  0.489  1.0
  Li  Li4  1  0.242  0.711  0.511  1.0
  Li  Li5  1  0.742  0.789  0.489  1.0
  Li  Li6  1  0.482  0.252  0.841  1.0
  Li  Li7  1  0.018  0.752  0.841  1.0
  Mn  Mn8  1  0.764  0.031  0.010  1.0
  Mn  Mn9  1  0.736  0.531  0.010  1.0
  Mn  Mn10  1  0.509  0.152  0.275  1.0
  Mn  Mn11  1  0.991  0.652  0.275  1.0
  Mn  Mn12  1  0.009  0.348  0.725  1.0
  Mn  Mn13  1  0.491  0.848  0.725  1.0
  Mn  Mn14  1  0.264  0.469  0.990  1.0
  Mn  Mn15  1  0.236  0.969  0.990  1.0
  F  F16  1  0.398  0.088  0.076  1.0
  F  F17  1  0.133  0.233  0.995  1.0
  F  F18  1  0.902  0.982  0.220  1.0
  F  F19  1  0.102  0.588  0.076  1.0
  F  F20  1  0.367  0.733  0.995  1.0
  F  F21  1  0.598  0.482  0.220  1.0
  F  F22  1  0.334  0.321  0.268  1.0
  F  F23  1  0.873  0.375  0.282  1.0
  F  F24  1  0.625  0.089  0.510  1.0
  F  F25  1  0.166  0.821  0.268  1.0
  F  F26  1  0.627  0.875  0.282  1.0
  F  F27  1  0.125  0.411  0.490  1.0
  F  F28  1  0.875  0.589  0.510  1.0
  F  F29  1  0.373  0.125  0.718  1.0
  F  F30  1  0.834  0.179  0.732  1.0
  F  F31  1  0.375  0.911  0.490  1.0
  F  F32  1  0.127  0.625  0.718  1.0
  F  F33  1  0.666  0.679  0.732  1.0
  F  F34  1  0.402  0.518  0.780  1.0
  F  F35  1  0.633  0.267  0.005  1.0
  F  F36  1  0.898  0.412  0.924  1.0
  F  F37  1  0.098  0.018  0.780  1.0
  F  F38  1  0.867  0.767  0.005  1.0
  F  F39  1  0.602  0.912  0.924  1.0
[/CIF]
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The compound 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 distorted trigonal pyramidal geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(3), one F(4), one F(5), and two equivalent F(6) 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(3), one F(4), one F(5), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form FLiMn3 tetrahedra that share corners with two equivalent F(5)Li2Mn2 tetrahedra, corners with two equivalent F(2)LiMn3 tetrahedra, and  an edgeedge with one F(5)Li2Mn2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Li(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   7.133
_cell_length_c   7.881
_cell_angle_alpha   65.526
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.216
_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  0.982  0.248  0.159  1.0
  Li  Li1  1  0.518  0.748  0.159  1.0
  Li  Li2  1  0.258  0.211  0.511  1.0
  Li  Li3  1  0.758  0.289  0.489  1.0
  Li  Li4  1  0.242  0.711  0.511  1.0
  Li  Li5  1  0.742  0.789  0.489  1.0
  Li  Li6  1  0.482  0.252  0.841  1.0
  Li  Li7  1  0.018  0.752  0.841  1.0
  Mn  Mn8  1  0.764  0.031  0.010  1.0
  Mn  Mn9  1  0.736  0.531  0.010  1.0
  Mn  Mn10  1  0.509  0.152  0.275  1.0
  Mn  Mn11  1  0.991  0.652  0.275  1.0
  Mn  Mn12  1  0.009  0.348  0.725  1.0
  Mn  Mn13  1  0.491  0.848  0.725  1.0
  Mn  Mn14  1  0.264  0.469  0.990  1.0
  Mn  Mn15  1  0.236  0.969  0.990  1.0
  F  F16  1  0.398  0.088  0.076  1.0
  F  F17  1  0.133  0.233  0.995  1.0
  F  F18  1  0.902  0.982  0.220  1.0
  F  F19  1  0.102  0.588  0.076  1.0
  F  F20  1  0.367  0.733  0.995  1.0
  F  F21  1  0.598  0.482  0.220  1.0
  F  F22  1  0.334  0.321  0.268  1.0
  F  F23  1  0.873  0.375  0.282  1.0
  F  F24  1  0.625  0.089  0.510  1.0
  F  F25  1  0.166  0.821  0.268  1.0
  F  F26  1  0.627  0.875  0.282  1.0
  F  F27  1  0.125  0.411  0.490  1.0
  F  F28  1  0.875  0.589  0.510  1.0
  F  F29  1  0.373  0.125  0.718  1.0
  F  F30  1  0.834  0.179  0.732  1.0
  F  F31  1  0.375  0.911  0.490  1.0
  F  F32  1  0.127  0.625  0.718  1.0
  F  F33  1  0.666  0.679  0.732  1.0
  F  F34  1  0.402  0.518  0.780  1.0
  F  F35  1  0.633  0.267  0.005  1.0
  F  F36  1  0.898  0.412  0.924  1.0
  F  F37  1  0.098  0.018  0.780  1.0
  F  F38  1  0.867  0.767  0.005  1.0
  F  F39  1  0.602  0.912  0.924  1.0
[/CIF]
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