The material described by Li2Mn3F8 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(2)F6 octahedra and corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra and edges with four equivalent Mn(1)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar 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 rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   6.893
_cell_length_c   8.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.117
_symmetry_Int_Tables_number   1
_cell_volume   347.343
_cell_formula_units_Z   2
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  0.116  0.232  0.608  1.0
  Li  Li1  1  0.384  0.768  0.108  1.0
  Li  Li2  1  0.616  0.232  0.892  1.0
  Li  Li3  1  0.884  0.768  0.392  1.0
  Mn  Mn4  1  0.103  0.705  0.750  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.603  0.705  0.750  1.0
  Mn  Mn7  1  0.397  0.295  0.250  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.897  0.295  0.250  1.0
  F  F10  1  0.134  0.771  0.514  1.0
  F  F11  1  0.137  0.771  0.986  1.0
  F  F12  1  0.984  0.968  0.754  1.0
  F  F13  1  0.256  0.511  0.232  1.0
  F  F14  1  0.516  0.032  0.254  1.0
  F  F15  1  0.244  0.489  0.732  1.0
  F  F16  1  0.634  0.771  0.986  1.0
  F  F17  1  0.363  0.229  0.486  1.0
  F  F18  1  0.637  0.771  0.514  1.0
  F  F19  1  0.366  0.229  0.014  1.0
  F  F20  1  0.016  0.032  0.246  1.0
  F  F21  1  0.484  0.968  0.746  1.0
  F  F22  1  0.744  0.489  0.768  1.0
  F  F23  1  0.756  0.511  0.268  1.0
  F  F24  1  0.863  0.229  0.014  1.0
  F  F25  1  0.866  0.229  0.486  1.0
[/CIF]
.
The material described by Li2Mn3F8 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(2)F6 octahedra and corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra and edges with four equivalent Mn(1)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar 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 rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   6.893
_cell_length_c   8.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.117
_symmetry_Int_Tables_number   1
_cell_volume   347.343
_cell_formula_units_Z   2
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  0.116  0.232  0.608  1.0
  Li  Li1  1  0.384  0.768  0.108  1.0
  Li  Li2  1  0.616  0.232  0.892  1.0
  Li  Li3  1  0.884  0.768  0.392  1.0
  Mn  Mn4  1  0.103  0.705  0.750  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.603  0.705  0.750  1.0
  Mn  Mn7  1  0.397  0.295  0.250  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.897  0.295  0.250  1.0
  F  F10  1  0.134  0.771  0.514  1.0
  F  F11  1  0.137  0.771  0.986  1.0
  F  F12  1  0.984  0.968  0.754  1.0
  F  F13  1  0.256  0.511  0.232  1.0
  F  F14  1  0.516  0.032  0.254  1.0
  F  F15  1  0.244  0.489  0.732  1.0
  F  F16  1  0.634  0.771  0.986  1.0
  F  F17  1  0.363  0.229  0.486  1.0
  F  F18  1  0.637  0.771  0.514  1.0
  F  F19  1  0.366  0.229  0.014  1.0
  F  F20  1  0.016  0.032  0.246  1.0
  F  F21  1  0.484  0.968  0.746  1.0
  F  F22  1  0.744  0.489  0.768  1.0
  F  F23  1  0.756  0.511  0.268  1.0
  F  F24  1  0.863  0.229  0.014  1.0
  F  F25  1  0.866  0.229  0.486  1.0
[/CIF]
.