The material structure described by BaC2O4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to 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 two equivalent Ba(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   7.840
_cell_length_c   9.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.262
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.088  0.792  0.174  1.0
  Ba  Ba1  1  0.912  0.292  0.326  1.0
  Ba  Ba2  1  0.588  0.708  0.826  1.0
  Ba  Ba3  1  0.412  0.208  0.674  1.0
  C  C4  1  0.583  0.632  0.205  1.0
  C  C5  1  0.417  0.132  0.295  1.0
  C  C6  1  0.083  0.868  0.795  1.0
  C  C7  1  0.917  0.368  0.705  1.0
  C  C8  1  0.249  0.365  0.009  1.0
  C  C9  1  0.751  0.865  0.491  1.0
  C  C10  1  0.749  0.135  0.991  1.0
  C  C11  1  0.251  0.635  0.509  1.0
  O  O12  1  0.749  0.580  0.176  1.0
  O  O13  1  0.251  0.080  0.324  1.0
  O  O14  1  0.249  0.920  0.824  1.0
  O  O15  1  0.751  0.420  0.676  1.0
  O  O16  1  0.476  0.732  0.135  1.0
  O  O17  1  0.524  0.232  0.365  1.0
  O  O18  1  0.976  0.768  0.865  1.0
  O  O19  1  0.024  0.268  0.635  1.0
  O  O20  1  0.369  0.421  0.918  1.0
  O  O21  1  0.631  0.921  0.582  1.0
  O  O22  1  0.869  0.079  0.082  1.0
  O  O23  1  0.131  0.579  0.418  1.0
  O  O24  1  0.150  0.435  0.107  1.0
  O  O25  1  0.850  0.935  0.393  1.0
  O  O26  1  0.650  0.065  0.893  1.0
  O  O27  1  0.350  0.565  0.607  1.0
[/CIF]
.
The material structure described by BaC2O4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to 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 two equivalent Ba(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   7.840
_cell_length_c   9.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.262
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.088  0.792  0.174  1.0
  Ba  Ba1  1  0.912  0.292  0.326  1.0
  Ba  Ba2  1  0.588  0.708  0.826  1.0
  Ba  Ba3  1  0.412  0.208  0.674  1.0
  C  C4  1  0.583  0.632  0.205  1.0
  C  C5  1  0.417  0.132  0.295  1.0
  C  C6  1  0.083  0.868  0.795  1.0
  C  C7  1  0.917  0.368  0.705  1.0
  C  C8  1  0.249  0.365  0.009  1.0
  C  C9  1  0.751  0.865  0.491  1.0
  C  C10  1  0.749  0.135  0.991  1.0
  C  C11  1  0.251  0.635  0.509  1.0
  O  O12  1  0.749  0.580  0.176  1.0
  O  O13  1  0.251  0.080  0.324  1.0
  O  O14  1  0.249  0.920  0.824  1.0
  O  O15  1  0.751  0.420  0.676  1.0
  O  O16  1  0.476  0.732  0.135  1.0
  O  O17  1  0.524  0.232  0.365  1.0
  O  O18  1  0.976  0.768  0.865  1.0
  O  O19  1  0.024  0.268  0.635  1.0
  O  O20  1  0.369  0.421  0.918  1.0
  O  O21  1  0.631  0.921  0.582  1.0
  O  O22  1  0.869  0.079  0.082  1.0
  O  O23  1  0.131  0.579  0.418  1.0
  O  O24  1  0.150  0.435  0.107  1.0
  O  O25  1  0.850  0.935  0.393  1.0
  O  O26  1  0.650  0.065  0.893  1.0
  O  O27  1  0.350  0.565  0.607  1.0
[/CIF]
.