The compound described by Cs2Li3Br5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), three equivalent Br(1), and three equivalent Br(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Br(1), one Br(3), and two equivalent Br(2) atoms to form LiBr4 tetrahedra that share corners with three equivalent Li(1)Br4 tetrahedra and edges with two equivalent Li(2)Br6 octahedra. In the second Li site, Li(2) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form LiBr6 octahedra that share edges with two equivalent Li(2)Br6 octahedra and edges with four equivalent Li(1)Br4 tetrahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), one Li(1), and two equivalent Li(2) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), one Li(2), and two equivalent Li(1) atoms. In the third Br site, Br(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Li3Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   8.169
_cell_length_c   10.064
_cell_angle_alpha   66.006
_cell_angle_beta   66.006
_cell_angle_gamma   30.864
_symmetry_Int_Tables_number   1
_cell_volume   312.384
_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  0.188  0.188  0.273  1.0
  Cs  Cs1  1  0.812  0.812  0.727  1.0
  Li  Li2  1  0.452  0.452  0.293  1.0
  Li  Li3  1  0.548  0.548  0.707  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Br  Br5  1  0.598  0.598  0.062  1.0
  Br  Br6  1  0.402  0.402  0.938  1.0
  Br  Br7  1  0.131  0.131  0.702  1.0
  Br  Br8  1  0.500  0.500  0.500  1.0
  Br  Br9  1  0.869  0.869  0.298  1.0
[/CIF]
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The compound described by Cs2Li3Br5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), three equivalent Br(1), and three equivalent Br(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Br(1), one Br(3), and two equivalent Br(2) atoms to form LiBr4 tetrahedra that share corners with three equivalent Li(1)Br4 tetrahedra and edges with two equivalent Li(2)Br6 octahedra. In the second Li site, Li(2) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form LiBr6 octahedra that share edges with two equivalent Li(2)Br6 octahedra and edges with four equivalent Li(1)Br4 tetrahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), one Li(1), and two equivalent Li(2) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), one Li(2), and two equivalent Li(1) atoms. In the third Br site, Br(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Li3Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   8.169
_cell_length_c   10.064
_cell_angle_alpha   66.006
_cell_angle_beta   66.006
_cell_angle_gamma   30.864
_symmetry_Int_Tables_number   1
_cell_volume   312.384
_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  0.188  0.188  0.273  1.0
  Cs  Cs1  1  0.812  0.812  0.727  1.0
  Li  Li2  1  0.452  0.452  0.293  1.0
  Li  Li3  1  0.548  0.548  0.707  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Br  Br5  1  0.598  0.598  0.062  1.0
  Br  Br6  1  0.402  0.402  0.938  1.0
  Br  Br7  1  0.131  0.131  0.702  1.0
  Br  Br8  1  0.500  0.500  0.500  1.0
  Br  Br9  1  0.869  0.869  0.298  1.0
[/CIF]
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