The material structure described by Bi(CO2)3 crystallizes in the trigonal P3m1 space group. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. In the third C site, C(3) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(6) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(5) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one C(1) and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one C(2) and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(3) and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one C(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one C(2) and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one C(3) and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   115.272
_cell_angle_beta   102.752
_cell_angle_gamma   102.752
_symmetry_Int_Tables_number   1
_cell_volume   146.594
_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
  Bi  Bi0  1  0.787  0.000  0.000  1.0
  C  C1  1  0.073  0.000  0.548  1.0
  C  C2  1  0.525  0.452  0.452  1.0
  C  C3  1  0.073  0.548  0.000  1.0
  O  O4  1  0.828  0.000  0.405  1.0
  O  O5  1  0.423  0.595  0.595  1.0
  O  O6  1  0.828  0.405  1.000  1.0
  O  O7  1  0.129  1.000  0.747  1.0
  O  O8  1  0.382  0.253  0.253  1.0
  O  O9  1  0.129  0.747  1.000  1.0
[/CIF]
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The material structure described by Bi(CO2)3 crystallizes in the trigonal P3m1 space group. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(5) atom. In the third C site, C(3) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(6) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(5) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one C(1) and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one C(2) and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(3) and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one C(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one C(2) and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one C(3) and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   115.272
_cell_angle_beta   102.752
_cell_angle_gamma   102.752
_symmetry_Int_Tables_number   1
_cell_volume   146.594
_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
  Bi  Bi0  1  0.787  0.000  0.000  1.0
  C  C1  1  0.073  0.000  0.548  1.0
  C  C2  1  0.525  0.452  0.452  1.0
  C  C3  1  0.073  0.548  0.000  1.0
  O  O4  1  0.828  0.000  0.405  1.0
  O  O5  1  0.423  0.595  0.595  1.0
  O  O6  1  0.828  0.405  1.000  1.0
  O  O7  1  0.129  1.000  0.747  1.0
  O  O8  1  0.382  0.253  0.253  1.0
  O  O9  1  0.129  0.747  1.000  1.0
[/CIF]
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