The material structure described by Cs4CO4 crystallizes in the trigonal R3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. C(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Cs4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   88.890
_cell_angle_beta   88.890
_cell_angle_gamma   88.890
_symmetry_Int_Tables_number   1
_cell_volume   244.582
_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  0.870  0.435  0.927  1.0
  Cs  Cs1  1  0.927  0.870  0.435  1.0
  Cs  Cs2  1  0.435  0.927  0.870  1.0
  Cs  Cs3  1  0.439  0.439  0.439  1.0
  C  C4  1  0.174  0.174  0.174  1.0
  O  O5  1  0.296  0.317  0.038  1.0
  O  O6  1  0.038  0.296  0.317  1.0
  O  O7  1  0.317  0.038  0.296  1.0
  O  O8  1  0.043  0.043  0.043  1.0
[/CIF]
.
The material structure described by Cs4CO4 crystallizes in the trigonal R3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. C(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Cs4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   88.890
_cell_angle_beta   88.890
_cell_angle_gamma   88.890
_symmetry_Int_Tables_number   1
_cell_volume   244.582
_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  0.870  0.435  0.927  1.0
  Cs  Cs1  1  0.927  0.870  0.435  1.0
  Cs  Cs2  1  0.435  0.927  0.870  1.0
  Cs  Cs3  1  0.439  0.439  0.439  1.0
  C  C4  1  0.174  0.174  0.174  1.0
  O  O5  1  0.296  0.317  0.038  1.0
  O  O6  1  0.038  0.296  0.317  1.0
  O  O7  1  0.317  0.038  0.296  1.0
  O  O8  1  0.043  0.043  0.043  1.0
[/CIF]
.