The crystal structure described by Cs2Ba2(CO3)3 crystallizes in the cubic I2_13 space group. Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one 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 Ba(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Cs2Ba2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   9.108
_cell_length_c   9.108
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   581.586
_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  0.000  0.120  0.500  1.0
  Cs  Cs1  1  0.120  0.500  0.000  1.0
  Cs  Cs2  1  0.380  0.380  0.380  1.0
  Cs  Cs3  1  0.500  0.000  0.120  1.0
  Ba  Ba4  1  0.000  0.583  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.583  1.0
  Ba  Ba6  1  0.917  0.917  0.917  1.0
  Ba  Ba7  1  0.583  0.500  0.000  1.0
  C  C8  1  0.659  0.750  0.409  1.0
  C  C9  1  0.091  0.841  0.250  1.0
  C  C10  1  0.250  0.091  0.841  1.0
  C  C11  1  0.409  0.659  0.750  1.0
  C  C12  1  0.841  0.250  0.091  1.0
  C  C13  1  0.750  0.409  0.659  1.0
  O  O14  1  0.965  0.250  0.215  1.0
  O  O15  1  0.250  0.215  0.965  1.0
  O  O16  1  0.364  0.704  0.627  1.0
  O  O17  1  0.627  0.364  0.704  1.0
  O  O18  1  0.704  0.627  0.364  1.0
  O  O19  1  0.215  0.965  0.250  1.0
  O  O20  1  0.873  0.577  0.737  1.0
  O  O21  1  0.796  0.160  0.923  1.0
  O  O22  1  0.136  0.763  0.340  1.0
  O  O23  1  0.340  0.136  0.763  1.0
  O  O24  1  0.923  0.796  0.160  1.0
  O  O25  1  0.160  0.923  0.796  1.0
  O  O26  1  0.285  0.535  0.750  1.0
  O  O27  1  0.750  0.285  0.535  1.0
  O  O28  1  0.763  0.340  0.136  1.0
  O  O29  1  0.577  0.737  0.873  1.0
  O  O30  1  0.535  0.750  0.285  1.0
  O  O31  1  0.737  0.873  0.577  1.0
[/CIF]
.
The crystal structure described by Cs2Ba2(CO3)3 crystallizes in the cubic I2_13 space group. Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one 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 Ba(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Cs2Ba2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   9.108
_cell_length_c   9.108
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   581.586
_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  0.000  0.120  0.500  1.0
  Cs  Cs1  1  0.120  0.500  0.000  1.0
  Cs  Cs2  1  0.380  0.380  0.380  1.0
  Cs  Cs3  1  0.500  0.000  0.120  1.0
  Ba  Ba4  1  0.000  0.583  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.583  1.0
  Ba  Ba6  1  0.917  0.917  0.917  1.0
  Ba  Ba7  1  0.583  0.500  0.000  1.0
  C  C8  1  0.659  0.750  0.409  1.0
  C  C9  1  0.091  0.841  0.250  1.0
  C  C10  1  0.250  0.091  0.841  1.0
  C  C11  1  0.409  0.659  0.750  1.0
  C  C12  1  0.841  0.250  0.091  1.0
  C  C13  1  0.750  0.409  0.659  1.0
  O  O14  1  0.965  0.250  0.215  1.0
  O  O15  1  0.250  0.215  0.965  1.0
  O  O16  1  0.364  0.704  0.627  1.0
  O  O17  1  0.627  0.364  0.704  1.0
  O  O18  1  0.704  0.627  0.364  1.0
  O  O19  1  0.215  0.965  0.250  1.0
  O  O20  1  0.873  0.577  0.737  1.0
  O  O21  1  0.796  0.160  0.923  1.0
  O  O22  1  0.136  0.763  0.340  1.0
  O  O23  1  0.340  0.136  0.763  1.0
  O  O24  1  0.923  0.796  0.160  1.0
  O  O25  1  0.160  0.923  0.796  1.0
  O  O26  1  0.285  0.535  0.750  1.0
  O  O27  1  0.750  0.285  0.535  1.0
  O  O28  1  0.763  0.340  0.136  1.0
  O  O29  1  0.577  0.737  0.873  1.0
  O  O30  1  0.535  0.750  0.285  1.0
  O  O31  1  0.737  0.873  0.577  1.0
[/CIF]
.