The material structure described by LiMnF4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1) and two equivalent F(6) atoms to form distorted LiF4 trigonal pyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(1)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-78°. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(5), one F(6), two equivalent F(1), and two equivalent F(3) atoms to form MnF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(1)F6 octahedra, and  an edgeedge with one Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the second Mn site, Mn(2) is bonded to one F(4), one F(5), two equivalent F(2), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 trigonal pyramids and edges with two equivalent Mn(1)F6 octahedra. There are six inequivalent F sites. In the first F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(6) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. In the third F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one Mn(2) atom. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. In the sixth F site, F(4) is bonded in a linear geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   11.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.011
_symmetry_Int_Tables_number   1
_cell_volume   460.253
_cell_formula_units_Z   6
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  0.329  0.329  0.000  1.0
  Li  Li1  1  0.329  0.329  0.500  1.0
  Li  Li2  1  0.826  0.174  0.250  1.0
  Li  Li3  1  0.174  0.826  0.750  1.0
  Li  Li4  1  0.671  0.671  0.500  1.0
  Li  Li5  1  0.671  0.671  0.000  1.0
  Mn  Mn6  1  0.147  0.853  0.072  1.0
  Mn  Mn7  1  0.147  0.853  0.428  1.0
  Mn  Mn8  1  0.573  0.427  0.750  1.0
  Mn  Mn9  1  0.853  0.147  0.928  1.0
  Mn  Mn10  1  0.853  0.147  0.572  1.0
  Mn  Mn11  1  0.427  0.573  0.250  1.0
  F  F12  1  0.349  0.066  0.073  1.0
  F  F13  1  0.349  0.066  0.427  1.0
  F  F14  1  0.066  0.349  0.927  1.0
  F  F15  1  0.066  0.349  0.573  1.0
  F  F16  1  0.212  0.371  0.250  1.0
  F  F17  1  0.371  0.212  0.750  1.0
  F  F18  1  0.077  0.923  0.598  1.0
  F  F19  1  0.630  0.370  0.250  1.0
  F  F20  1  0.077  0.923  0.902  1.0
  F  F21  1  0.204  0.796  0.250  1.0
  F  F22  1  0.370  0.630  0.750  1.0
  F  F23  1  0.923  0.077  0.098  1.0
  F  F24  1  0.796  0.204  0.750  1.0
  F  F25  1  0.627  0.373  0.560  1.0
  F  F26  1  0.373  0.627  0.060  1.0
  F  F27  1  0.923  0.077  0.402  1.0
  F  F28  1  0.373  0.627  0.440  1.0
  F  F29  1  0.627  0.373  0.940  1.0
  F  F30  1  0.629  0.788  0.250  1.0
  F  F31  1  0.788  0.629  0.750  1.0
  F  F32  1  0.651  0.934  0.573  1.0
  F  F33  1  0.651  0.934  0.927  1.0
  F  F34  1  0.934  0.651  0.073  1.0
  F  F35  1  0.934  0.651  0.427  1.0
[/CIF]
.
The material structure described by LiMnF4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1) and two equivalent F(6) atoms to form distorted LiF4 trigonal pyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(1)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-78°. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(5), one F(6), two equivalent F(1), and two equivalent F(3) atoms to form MnF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Mn(1)F6 octahedra, and  an edgeedge with one Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the second Mn site, Mn(2) is bonded to one F(4), one F(5), two equivalent F(2), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 trigonal pyramids and edges with two equivalent Mn(1)F6 octahedra. There are six inequivalent F sites. In the first F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(6) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. In the third F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one Mn(2) atom. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. In the sixth F site, F(4) is bonded in a linear geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   11.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.011
_symmetry_Int_Tables_number   1
_cell_volume   460.253
_cell_formula_units_Z   6
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  0.329  0.329  0.000  1.0
  Li  Li1  1  0.329  0.329  0.500  1.0
  Li  Li2  1  0.826  0.174  0.250  1.0
  Li  Li3  1  0.174  0.826  0.750  1.0
  Li  Li4  1  0.671  0.671  0.500  1.0
  Li  Li5  1  0.671  0.671  0.000  1.0
  Mn  Mn6  1  0.147  0.853  0.072  1.0
  Mn  Mn7  1  0.147  0.853  0.428  1.0
  Mn  Mn8  1  0.573  0.427  0.750  1.0
  Mn  Mn9  1  0.853  0.147  0.928  1.0
  Mn  Mn10  1  0.853  0.147  0.572  1.0
  Mn  Mn11  1  0.427  0.573  0.250  1.0
  F  F12  1  0.349  0.066  0.073  1.0
  F  F13  1  0.349  0.066  0.427  1.0
  F  F14  1  0.066  0.349  0.927  1.0
  F  F15  1  0.066  0.349  0.573  1.0
  F  F16  1  0.212  0.371  0.250  1.0
  F  F17  1  0.371  0.212  0.750  1.0
  F  F18  1  0.077  0.923  0.598  1.0
  F  F19  1  0.630  0.370  0.250  1.0
  F  F20  1  0.077  0.923  0.902  1.0
  F  F21  1  0.204  0.796  0.250  1.0
  F  F22  1  0.370  0.630  0.750  1.0
  F  F23  1  0.923  0.077  0.098  1.0
  F  F24  1  0.796  0.204  0.750  1.0
  F  F25  1  0.627  0.373  0.560  1.0
  F  F26  1  0.373  0.627  0.060  1.0
  F  F27  1  0.923  0.077  0.402  1.0
  F  F28  1  0.373  0.627  0.440  1.0
  F  F29  1  0.627  0.373  0.940  1.0
  F  F30  1  0.629  0.788  0.250  1.0
  F  F31  1  0.788  0.629  0.750  1.0
  F  F32  1  0.651  0.934  0.573  1.0
  F  F33  1  0.651  0.934  0.927  1.0
  F  F34  1  0.934  0.651  0.073  1.0
  F  F35  1  0.934  0.651  0.427  1.0
[/CIF]
.