The crystal structure described by Li2MnBr4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to one Br(2), one Br(3), and four equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra, edges with four equivalent Li(1)Br6 octahedra, and edges with four equivalent Mn(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Mn(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form MnBr6 octahedra that share corners with four equivalent Mn(1)Br6 octahedra and edges with eight equivalent Li(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Li(1) and one Mn(1) atom to form a mixture of edge and corner-sharing BrLi4Mn square pyramids. In the second Br site, Br(2) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2MnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.730
_cell_length_b   6.730
_cell_length_c   6.730
_cell_angle_alpha   131.439
_cell_angle_beta   131.394
_cell_angle_gamma   71.152
_symmetry_Int_Tables_number   1
_cell_volume   167.799
_cell_formula_units_Z   1
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  0.243  0.748  0.494  1.0
  Li  Li1  1  0.746  0.252  0.494  1.0
  Mn  Mn2  1  0.508  0.500  0.008  1.0
  Br  Br3  1  0.733  0.738  0.995  1.0
  Br  Br4  1  0.258  0.262  0.995  1.0
  Br  Br5  1  0.997  0.500  0.497  1.0
  Br  Br6  1  0.499  0.000  0.499  1.0
[/CIF]
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The crystal structure described by Li2MnBr4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to one Br(2), one Br(3), and four equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra, edges with four equivalent Li(1)Br6 octahedra, and edges with four equivalent Mn(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Mn(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form MnBr6 octahedra that share corners with four equivalent Mn(1)Br6 octahedra and edges with eight equivalent Li(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Li(1) and one Mn(1) atom to form a mixture of edge and corner-sharing BrLi4Mn square pyramids. In the second Br site, Br(2) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2MnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.730
_cell_length_b   6.730
_cell_length_c   6.730
_cell_angle_alpha   131.439
_cell_angle_beta   131.394
_cell_angle_gamma   71.152
_symmetry_Int_Tables_number   1
_cell_volume   167.799
_cell_formula_units_Z   1
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  0.243  0.748  0.494  1.0
  Li  Li1  1  0.746  0.252  0.494  1.0
  Mn  Mn2  1  0.508  0.500  0.008  1.0
  Br  Br3  1  0.733  0.738  0.995  1.0
  Br  Br4  1  0.258  0.262  0.995  1.0
  Br  Br5  1  0.997  0.500  0.497  1.0
  Br  Br6  1  0.499  0.000  0.499  1.0
[/CIF]
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