The compound described by KCd(CO2)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cd(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cd(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KCd(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   7.322
_cell_angle_alpha   86.925
_cell_angle_beta   86.925
_cell_angle_gamma   79.461
_symmetry_Int_Tables_number   1
_cell_volume   385.385
_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
  K  K0  1  0.102  0.898  0.750  1.0
  K  K1  1  0.898  0.102  0.250  1.0
  Cd  Cd2  1  0.500  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.500  0.500  1.0
  C  C4  1  0.248  0.383  0.858  1.0
  C  C5  1  0.617  0.752  0.642  1.0
  C  C6  1  0.752  0.617  0.142  1.0
  C  C7  1  0.383  0.248  0.358  1.0
  C  C8  1  0.757  0.243  0.750  1.0
  C  C9  1  0.243  0.757  0.250  1.0
  O  O10  1  0.269  0.211  0.852  1.0
  O  O11  1  0.789  0.731  0.648  1.0
  O  O12  1  0.731  0.789  0.148  1.0
  O  O13  1  0.211  0.269  0.352  1.0
  O  O14  1  0.486  0.843  0.733  1.0
  O  O15  1  0.157  0.514  0.767  1.0
  O  O16  1  0.514  0.157  0.267  1.0
  O  O17  1  0.843  0.486  0.233  1.0
  O  O18  1  0.762  0.133  0.889  1.0
  O  O19  1  0.867  0.238  0.611  1.0
  O  O20  1  0.238  0.867  0.111  1.0
  O  O21  1  0.133  0.762  0.389  1.0
[/CIF]
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The compound described by KCd(CO2)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cd(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cd(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KCd(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   7.322
_cell_angle_alpha   86.925
_cell_angle_beta   86.925
_cell_angle_gamma   79.461
_symmetry_Int_Tables_number   1
_cell_volume   385.385
_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
  K  K0  1  0.102  0.898  0.750  1.0
  K  K1  1  0.898  0.102  0.250  1.0
  Cd  Cd2  1  0.500  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.500  0.500  1.0
  C  C4  1  0.248  0.383  0.858  1.0
  C  C5  1  0.617  0.752  0.642  1.0
  C  C6  1  0.752  0.617  0.142  1.0
  C  C7  1  0.383  0.248  0.358  1.0
  C  C8  1  0.757  0.243  0.750  1.0
  C  C9  1  0.243  0.757  0.250  1.0
  O  O10  1  0.269  0.211  0.852  1.0
  O  O11  1  0.789  0.731  0.648  1.0
  O  O12  1  0.731  0.789  0.148  1.0
  O  O13  1  0.211  0.269  0.352  1.0
  O  O14  1  0.486  0.843  0.733  1.0
  O  O15  1  0.157  0.514  0.767  1.0
  O  O16  1  0.514  0.157  0.267  1.0
  O  O17  1  0.843  0.486  0.233  1.0
  O  O18  1  0.762  0.133  0.889  1.0
  O  O19  1  0.867  0.238  0.611  1.0
  O  O20  1  0.238  0.867  0.111  1.0
  O  O21  1  0.133  0.762  0.389  1.0
[/CIF]
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