The compound described by LiMnF3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 trigonal pyramids that share corners with two equivalent Mn(1)F6 pentagonal pyramids, corners with two equivalent Mn(2)F6 pentagonal pyramids,  an edgeedge with one Mn(1)F6 pentagonal pyramid, and  an edgeedge with one Mn(2)F6 pentagonal pyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Mn(2)F6 pentagonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(2)F6 pentagonal pyramid, edges with two equivalent Mn(1)F6 pentagonal pyramids, and  an edgeedge with one Li(1)F4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one F(2), one F(4), two equivalent F(5), and two equivalent F(6) atoms to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Mn(1)F6 pentagonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(1)F6 pentagonal pyramid, edges with two equivalent Mn(2)F6 pentagonal pyramids, and  an edgeedge with one Li(1)F4 trigonal pyramid. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form FLi2Mn2 tetrahedra that share corners with two equivalent F(1)Li2Mn2 tetrahedra,  a cornercorner with one F(5)LiMn3 trigonal pyramid, and  an edgeedge with one F(5)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 tetrahedra, corners with two equivalent F(5)LiMn3 trigonal pyramids, and  an edgeedge with one F(1)Li2Mn2 tetrahedra. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   6.176
_cell_angle_alpha   65.943
_cell_angle_beta   65.943
_cell_angle_gamma   66.564
_symmetry_Int_Tables_number   1
_cell_volume   251.844
_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  0.762  0.195  0.208  1.0
  Li  Li1  1  0.241  0.799  0.222  1.0
  Li  Li2  1  0.195  0.762  0.708  1.0
  Li  Li3  1  0.799  0.241  0.722  1.0
  Mn  Mn4  1  0.688  0.803  0.637  1.0
  Mn  Mn5  1  0.803  0.688  0.137  1.0
  Mn  Mn6  1  0.211  0.320  0.823  1.0
  Mn  Mn7  1  0.320  0.211  0.323  1.0
  F  F8  1  0.884  0.891  0.255  1.0
  F  F9  1  0.891  0.884  0.755  1.0
  F  F10  1  0.869  0.429  0.001  1.0
  F  F11  1  0.525  0.766  0.014  1.0
  F  F12  1  0.429  0.869  0.501  1.0
  F  F13  1  0.766  0.525  0.514  1.0
  F  F14  1  0.227  0.585  0.522  1.0
  F  F15  1  0.534  0.177  0.535  1.0
  F  F16  1  0.585  0.227  0.022  1.0
  F  F17  1  0.177  0.534  0.035  1.0
  F  F18  1  0.183  0.096  0.172  1.0
  F  F19  1  0.096  0.183  0.672  1.0
[/CIF]
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The compound described by LiMnF3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 trigonal pyramids that share corners with two equivalent Mn(1)F6 pentagonal pyramids, corners with two equivalent Mn(2)F6 pentagonal pyramids,  an edgeedge with one Mn(1)F6 pentagonal pyramid, and  an edgeedge with one Mn(2)F6 pentagonal pyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Mn(2)F6 pentagonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(2)F6 pentagonal pyramid, edges with two equivalent Mn(1)F6 pentagonal pyramids, and  an edgeedge with one Li(1)F4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one F(2), one F(4), two equivalent F(5), and two equivalent F(6) atoms to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Mn(1)F6 pentagonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(1)F6 pentagonal pyramid, edges with two equivalent Mn(2)F6 pentagonal pyramids, and  an edgeedge with one Li(1)F4 trigonal pyramid. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form FLi2Mn2 tetrahedra that share corners with two equivalent F(1)Li2Mn2 tetrahedra,  a cornercorner with one F(5)LiMn3 trigonal pyramid, and  an edgeedge with one F(5)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 tetrahedra, corners with two equivalent F(5)LiMn3 trigonal pyramids, and  an edgeedge with one F(1)Li2Mn2 tetrahedra. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   6.176
_cell_angle_alpha   65.943
_cell_angle_beta   65.943
_cell_angle_gamma   66.564
_symmetry_Int_Tables_number   1
_cell_volume   251.844
_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  0.762  0.195  0.208  1.0
  Li  Li1  1  0.241  0.799  0.222  1.0
  Li  Li2  1  0.195  0.762  0.708  1.0
  Li  Li3  1  0.799  0.241  0.722  1.0
  Mn  Mn4  1  0.688  0.803  0.637  1.0
  Mn  Mn5  1  0.803  0.688  0.137  1.0
  Mn  Mn6  1  0.211  0.320  0.823  1.0
  Mn  Mn7  1  0.320  0.211  0.323  1.0
  F  F8  1  0.884  0.891  0.255  1.0
  F  F9  1  0.891  0.884  0.755  1.0
  F  F10  1  0.869  0.429  0.001  1.0
  F  F11  1  0.525  0.766  0.014  1.0
  F  F12  1  0.429  0.869  0.501  1.0
  F  F13  1  0.766  0.525  0.514  1.0
  F  F14  1  0.227  0.585  0.522  1.0
  F  F15  1  0.534  0.177  0.535  1.0
  F  F16  1  0.585  0.227  0.022  1.0
  F  F17  1  0.177  0.534  0.035  1.0
  F  F18  1  0.183  0.096  0.172  1.0
  F  F19  1  0.096  0.183  0.672  1.0
[/CIF]
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