The material described by CsLi2Br3 crystallizes in the orthorhombic Immm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Li(1) is bonded to one Br(2) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_CsLi2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.559
_cell_length_b   7.559
_cell_length_c   7.559
_cell_angle_alpha   144.064
_cell_angle_beta   136.155
_cell_angle_gamma   57.935
_symmetry_Int_Tables_number   1
_cell_volume   174.078
_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
  Cs  Cs0  1  0.000  0.500  0.500  1.0
  Li  Li1  1  0.309  0.809  0.500  1.0
  Li  Li2  1  0.691  0.191  0.500  1.0
  Br  Br3  1  0.779  0.779  0.000  1.0
  Br  Br4  1  0.221  0.221  0.000  1.0
  Br  Br5  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by CsLi2Br3 crystallizes in the orthorhombic Immm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Li(1) is bonded to one Br(2) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing LiBr5 trigonal bipyramids. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_CsLi2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.559
_cell_length_b   7.559
_cell_length_c   7.559
_cell_angle_alpha   144.064
_cell_angle_beta   136.155
_cell_angle_gamma   57.935
_symmetry_Int_Tables_number   1
_cell_volume   174.078
_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
  Cs  Cs0  1  0.000  0.500  0.500  1.0
  Li  Li1  1  0.309  0.809  0.500  1.0
  Li  Li2  1  0.691  0.191  0.500  1.0
  Br  Br3  1  0.779  0.779  0.000  1.0
  Br  Br4  1  0.221  0.221  0.000  1.0
  Br  Br5  1  0.500  0.000  0.500  1.0
[/CIF]
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