The structure described by Cs6OBr4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one Br(2), and four equivalent Br(1) atoms. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs6Br4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.858
_cell_length_b   9.858
_cell_length_c   9.858
_cell_angle_alpha   88.576
_cell_angle_beta   88.576
_cell_angle_gamma   88.576
_symmetry_Int_Tables_number   1
_cell_volume   957.121
_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
  Cs  Cs0  1  0.933  0.059  0.720  1.0
  Cs  Cs1  1  0.941  0.280  0.067  1.0
  Cs  Cs2  1  0.780  0.441  0.567  1.0
  Cs  Cs3  1  0.433  0.220  0.559  1.0
  Cs  Cs4  1  0.280  0.067  0.941  1.0
  Cs  Cs5  1  0.559  0.433  0.220  1.0
  Cs  Cs6  1  0.441  0.567  0.780  1.0
  Cs  Cs7  1  0.567  0.780  0.441  1.0
  Cs  Cs8  1  0.720  0.933  0.059  1.0
  Cs  Cs9  1  0.220  0.559  0.433  1.0
  Cs  Cs10  1  0.059  0.720  0.933  1.0
  Cs  Cs11  1  0.067  0.941  0.280  1.0
  Br  Br12  1  0.750  0.128  0.372  1.0
  Br  Br13  1  0.628  0.250  0.872  1.0
  Br  Br14  1  0.872  0.628  0.250  1.0
  Br  Br15  1  0.750  0.750  0.750  1.0
  Br  Br16  1  0.250  0.250  0.250  1.0
  Br  Br17  1  0.128  0.372  0.750  1.0
  Br  Br18  1  0.372  0.750  0.128  1.0
  Br  Br19  1  0.250  0.872  0.628  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by Cs6OBr4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one Br(2), and four equivalent Br(1) atoms. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs6Br4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.858
_cell_length_b   9.858
_cell_length_c   9.858
_cell_angle_alpha   88.576
_cell_angle_beta   88.576
_cell_angle_gamma   88.576
_symmetry_Int_Tables_number   1
_cell_volume   957.121
_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
  Cs  Cs0  1  0.933  0.059  0.720  1.0
  Cs  Cs1  1  0.941  0.280  0.067  1.0
  Cs  Cs2  1  0.780  0.441  0.567  1.0
  Cs  Cs3  1  0.433  0.220  0.559  1.0
  Cs  Cs4  1  0.280  0.067  0.941  1.0
  Cs  Cs5  1  0.559  0.433  0.220  1.0
  Cs  Cs6  1  0.441  0.567  0.780  1.0
  Cs  Cs7  1  0.567  0.780  0.441  1.0
  Cs  Cs8  1  0.720  0.933  0.059  1.0
  Cs  Cs9  1  0.220  0.559  0.433  1.0
  Cs  Cs10  1  0.059  0.720  0.933  1.0
  Cs  Cs11  1  0.067  0.941  0.280  1.0
  Br  Br12  1  0.750  0.128  0.372  1.0
  Br  Br13  1  0.628  0.250  0.872  1.0
  Br  Br14  1  0.872  0.628  0.250  1.0
  Br  Br15  1  0.750  0.750  0.750  1.0
  Br  Br16  1  0.250  0.250  0.250  1.0
  Br  Br17  1  0.128  0.372  0.750  1.0
  Br  Br18  1  0.372  0.750  0.128  1.0
  Br  Br19  1  0.250  0.872  0.628  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.500  0.500  0.500  1.0
[/CIF]
.