The structure described by Li2MnF4 crystallizes in the orthorhombic Imma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(3)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with four equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with three equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Li site, Li(3) is bonded to one F(3), one F(4), and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(1)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. Mn(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form MnF4 tetrahedra that share corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Li(3)F6 octahedra, corners with four equivalent Li(2)F6 octahedra, and  a cornercorner with one Mn(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one F(4)Li5 square pyramid, corners with three equivalent F(2)Li3Mn trigonal pyramids, corners with six equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one F(4)Li5 square pyramid,  an edgeedge with one F(1)Li3Mn trigonal pyramid, and  an edgeedge with one F(2)Li3Mn 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 distorted FLi3Mn trigonal pyramids that share corners with two equivalent F(4)Li5 square pyramids, corners with three equivalent F(2)Li3Mn trigonal pyramids, corners with six equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one F(4)Li5 square pyramid, and edges with two equivalent F(1)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(3) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded to one Li(3) and four equivalent Li(2) atoms to form FLi5 square pyramids that share corners with four equivalent F(1)Li3Mn trigonal pyramids, corners with four equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(4)Li5 square pyramids, edges with two equivalent F(2)Li3Mn trigonal pyramids, and edges with four equivalent F(1)Li3Mn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.107
_cell_length_c   8.107
_cell_angle_alpha   136.103
_cell_angle_beta   115.583
_cell_angle_gamma   81.233
_symmetry_Int_Tables_number   1
_cell_volume   322.350
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.113  0.613  0.000  1.0
  Li  Li2  1  0.887  0.887  0.500  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.245  0.250  0.995  1.0
  Li  Li5  1  0.755  0.750  0.005  1.0
  Li  Li6  1  0.113  0.113  0.500  1.0
  Li  Li7  1  0.887  0.387  0.000  1.0
  Mn  Mn8  1  0.234  0.612  0.622  1.0
  Mn  Mn9  1  0.510  0.888  0.622  1.0
  Mn  Mn10  1  0.490  0.112  0.378  1.0
  Mn  Mn11  1  0.766  0.388  0.378  1.0
  F  F12  1  0.366  0.604  0.218  1.0
  F  F13  1  0.245  0.483  0.762  1.0
  F  F14  1  0.508  0.750  0.758  1.0
  F  F15  1  0.886  0.648  0.782  1.0
  F  F16  1  0.114  0.896  0.762  1.0
  F  F17  1  0.366  0.148  0.762  1.0
  F  F18  1  0.779  0.017  0.762  1.0
  F  F19  1  0.987  0.750  0.237  1.0
  F  F20  1  0.013  0.250  0.763  1.0
  F  F21  1  0.221  0.983  0.238  1.0
  F  F22  1  0.634  0.852  0.238  1.0
  F  F23  1  0.886  0.104  0.238  1.0
  F  F24  1  0.114  0.352  0.218  1.0
  F  F25  1  0.755  0.517  0.238  1.0
  F  F26  1  0.492  0.250  0.242  1.0
  F  F27  1  0.634  0.396  0.782  1.0
[/CIF]
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The structure described by Li2MnF4 crystallizes in the orthorhombic Imma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(3)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with four equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(3)F6 octahedra, and edges with three equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Li site, Li(3) is bonded to one F(3), one F(4), and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra, edges with two equivalent Li(1)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. Mn(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form MnF4 tetrahedra that share corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Li(3)F6 octahedra, corners with four equivalent Li(2)F6 octahedra, and  a cornercorner with one Mn(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one F(4)Li5 square pyramid, corners with three equivalent F(2)Li3Mn trigonal pyramids, corners with six equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one F(4)Li5 square pyramid,  an edgeedge with one F(1)Li3Mn trigonal pyramid, and  an edgeedge with one F(2)Li3Mn 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 distorted FLi3Mn trigonal pyramids that share corners with two equivalent F(4)Li5 square pyramids, corners with three equivalent F(2)Li3Mn trigonal pyramids, corners with six equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one F(4)Li5 square pyramid, and edges with two equivalent F(1)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(3) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded to one Li(3) and four equivalent Li(2) atoms to form FLi5 square pyramids that share corners with four equivalent F(1)Li3Mn trigonal pyramids, corners with four equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(4)Li5 square pyramids, edges with two equivalent F(2)Li3Mn trigonal pyramids, and edges with four equivalent F(1)Li3Mn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.107
_cell_length_c   8.107
_cell_angle_alpha   136.103
_cell_angle_beta   115.583
_cell_angle_gamma   81.233
_symmetry_Int_Tables_number   1
_cell_volume   322.350
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.113  0.613  0.000  1.0
  Li  Li2  1  0.887  0.887  0.500  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.245  0.250  0.995  1.0
  Li  Li5  1  0.755  0.750  0.005  1.0
  Li  Li6  1  0.113  0.113  0.500  1.0
  Li  Li7  1  0.887  0.387  0.000  1.0
  Mn  Mn8  1  0.234  0.612  0.622  1.0
  Mn  Mn9  1  0.510  0.888  0.622  1.0
  Mn  Mn10  1  0.490  0.112  0.378  1.0
  Mn  Mn11  1  0.766  0.388  0.378  1.0
  F  F12  1  0.366  0.604  0.218  1.0
  F  F13  1  0.245  0.483  0.762  1.0
  F  F14  1  0.508  0.750  0.758  1.0
  F  F15  1  0.886  0.648  0.782  1.0
  F  F16  1  0.114  0.896  0.762  1.0
  F  F17  1  0.366  0.148  0.762  1.0
  F  F18  1  0.779  0.017  0.762  1.0
  F  F19  1  0.987  0.750  0.237  1.0
  F  F20  1  0.013  0.250  0.763  1.0
  F  F21  1  0.221  0.983  0.238  1.0
  F  F22  1  0.634  0.852  0.238  1.0
  F  F23  1  0.886  0.104  0.238  1.0
  F  F24  1  0.114  0.352  0.218  1.0
  F  F25  1  0.755  0.517  0.238  1.0
  F  F26  1  0.492  0.250  0.242  1.0
  F  F27  1  0.634  0.396  0.782  1.0
[/CIF]
.