The compound described by CsCO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.945
_cell_length_b   6.573
_cell_length_c   8.628
_cell_angle_alpha   82.606
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.556
_cell_formula_units_Z   8
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  0.798  0.286  0.518  1.0
  Cs  Cs1  1  0.702  0.286  0.018  1.0
  Cs  Cs2  1  0.202  0.714  0.482  1.0
  Cs  Cs3  1  0.911  0.770  0.835  1.0
  Cs  Cs4  1  0.589  0.770  0.335  1.0
  Cs  Cs5  1  0.298  0.714  0.982  1.0
  Cs  Cs6  1  0.089  0.230  0.165  1.0
  Cs  Cs7  1  0.411  0.230  0.665  1.0
  C  C8  1  0.891  0.834  0.333  1.0
  C  C9  1  0.944  0.690  0.225  1.0
  C  C10  1  0.609  0.834  0.833  1.0
  C  C11  1  0.109  0.166  0.667  1.0
  C  C12  1  0.444  0.310  0.275  1.0
  C  C13  1  0.391  0.166  0.167  1.0
  C  C14  1  0.056  0.310  0.775  1.0
  C  C15  1  0.556  0.690  0.725  1.0
  O  O16  1  0.950  0.273  0.830  1.0
  O  O17  1  0.550  0.273  0.330  1.0
  O  O18  1  0.450  0.727  0.670  1.0
  O  O19  1  0.050  0.727  0.170  1.0
  O  O20  1  0.892  0.775  0.479  1.0
  O  O21  1  0.625  0.545  0.694  1.0
  O  O22  1  0.847  0.000  0.266  1.0
  O  O23  1  0.153  1.000  0.734  1.0
  O  O24  1  0.125  0.455  0.806  1.0
  O  O25  1  0.392  0.225  0.021  1.0
  O  O26  1  0.608  0.775  0.979  1.0
  O  O27  1  0.108  0.225  0.521  1.0
  O  O28  1  0.653  0.000  0.766  1.0
  O  O29  1  0.375  0.455  0.306  1.0
  O  O30  1  0.347  1.000  0.234  1.0
  O  O31  1  0.875  0.545  0.194  1.0
[/CIF]
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The compound described by CsCO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.945
_cell_length_b   6.573
_cell_length_c   8.628
_cell_angle_alpha   82.606
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.556
_cell_formula_units_Z   8
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  0.798  0.286  0.518  1.0
  Cs  Cs1  1  0.702  0.286  0.018  1.0
  Cs  Cs2  1  0.202  0.714  0.482  1.0
  Cs  Cs3  1  0.911  0.770  0.835  1.0
  Cs  Cs4  1  0.589  0.770  0.335  1.0
  Cs  Cs5  1  0.298  0.714  0.982  1.0
  Cs  Cs6  1  0.089  0.230  0.165  1.0
  Cs  Cs7  1  0.411  0.230  0.665  1.0
  C  C8  1  0.891  0.834  0.333  1.0
  C  C9  1  0.944  0.690  0.225  1.0
  C  C10  1  0.609  0.834  0.833  1.0
  C  C11  1  0.109  0.166  0.667  1.0
  C  C12  1  0.444  0.310  0.275  1.0
  C  C13  1  0.391  0.166  0.167  1.0
  C  C14  1  0.056  0.310  0.775  1.0
  C  C15  1  0.556  0.690  0.725  1.0
  O  O16  1  0.950  0.273  0.830  1.0
  O  O17  1  0.550  0.273  0.330  1.0
  O  O18  1  0.450  0.727  0.670  1.0
  O  O19  1  0.050  0.727  0.170  1.0
  O  O20  1  0.892  0.775  0.479  1.0
  O  O21  1  0.625  0.545  0.694  1.0
  O  O22  1  0.847  0.000  0.266  1.0
  O  O23  1  0.153  1.000  0.734  1.0
  O  O24  1  0.125  0.455  0.806  1.0
  O  O25  1  0.392  0.225  0.021  1.0
  O  O26  1  0.608  0.775  0.979  1.0
  O  O27  1  0.108  0.225  0.521  1.0
  O  O28  1  0.653  0.000  0.766  1.0
  O  O29  1  0.375  0.455  0.306  1.0
  O  O30  1  0.347  1.000  0.234  1.0
  O  O31  1  0.875  0.545  0.194  1.0
[/CIF]
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