The crystal structure described by CaBi2(CO)2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a distorted q4 geometry to eight equivalent C(1) and two equivalent Bi(1) atoms. C(1) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one C(1) atom. Bi(1) is bonded in a 4-coordinate geometry to one Ca(1) and four equivalent O(1) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_CaBi2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.760
_cell_length_b   3.760
_cell_length_c   9.863
_cell_angle_alpha   100.988
_cell_angle_beta   100.988
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.271
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.823  0.823  0.645  1.0
  Bi  Bi2  1  0.177  0.177  0.355  1.0
  C  C3  1  0.534  0.534  0.068  1.0
  C  C4  1  0.466  0.466  0.932  1.0
  O  O5  1  0.250  0.750  0.500  1.0
  O  O6  1  0.750  0.250  0.500  1.0
[/CIF]
.
The crystal structure described by CaBi2(CO)2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a distorted q4 geometry to eight equivalent C(1) and two equivalent Bi(1) atoms. C(1) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one C(1) atom. Bi(1) is bonded in a 4-coordinate geometry to one Ca(1) and four equivalent O(1) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_CaBi2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.760
_cell_length_b   3.760
_cell_length_c   9.863
_cell_angle_alpha   100.988
_cell_angle_beta   100.988
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.271
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.823  0.823  0.645  1.0
  Bi  Bi2  1  0.177  0.177  0.355  1.0
  C  C3  1  0.534  0.534  0.068  1.0
  C  C4  1  0.466  0.466  0.932  1.0
  O  O5  1  0.250  0.750  0.500  1.0
  O  O6  1  0.750  0.250  0.500  1.0
[/CIF]
.