The compound described by Cs4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   6.939
_cell_length_c   6.602
_cell_angle_alpha   68.698
_cell_angle_beta   68.698
_cell_angle_gamma   52.225
_symmetry_Int_Tables_number   1
_cell_volume   229.800
_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  0.839  0.442  0.102  1.0
  Cs  Cs1  1  0.158  0.567  0.432  1.0
  Cs  Cs2  1  0.558  0.161  0.898  1.0
  Cs  Cs3  1  0.433  0.842  0.568  1.0
  C  C4  1  0.074  0.926  0.000  1.0
  O  O5  1  0.866  0.994  0.184  1.0
  O  O6  1  0.006  0.134  0.816  1.0
  O  O7  1  0.133  0.716  0.938  1.0
  O  O8  1  0.284  0.867  0.062  1.0
[/CIF]
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The compound described by Cs4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   6.939
_cell_length_c   6.602
_cell_angle_alpha   68.698
_cell_angle_beta   68.698
_cell_angle_gamma   52.225
_symmetry_Int_Tables_number   1
_cell_volume   229.800
_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  0.839  0.442  0.102  1.0
  Cs  Cs1  1  0.158  0.567  0.432  1.0
  Cs  Cs2  1  0.558  0.161  0.898  1.0
  Cs  Cs3  1  0.433  0.842  0.568  1.0
  C  C4  1  0.074  0.926  0.000  1.0
  O  O5  1  0.866  0.994  0.184  1.0
  O  O6  1  0.006  0.134  0.816  1.0
  O  O7  1  0.133  0.716  0.938  1.0
  O  O8  1  0.284  0.867  0.062  1.0
[/CIF]
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