The material structure described by Ba3Cl4CO3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), one Cl(1), one Cl(2), and four equivalent Cl(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one C(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form ClBa5 square pyramids that share corners with four equivalent Cl(2)Ba5 square pyramids, corners with eight equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(2)Ba5 square pyramid, edges with two equivalent Cl(1)Ba5 square pyramids, edges with two equivalent Cl(3)Ba4 trigonal pyramids, and  a faceface with one Cl(2)Ba5 square pyramid. In the second Cl site, Cl(2) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form distorted ClBa5 square pyramids that share corners with four equivalent Cl(1)Ba5 square pyramids, corners with four equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(1)Ba5 square pyramid, edges with two equivalent Cl(2)Ba5 square pyramids, edges with four equivalent Cl(3)Ba4 trigonal pyramids, and  a faceface with one Cl(1)Ba5 square pyramid. In the third Cl site, Cl(3) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form distorted ClBa4 trigonal pyramids that share corners with two equivalent Cl(2)Ba5 square pyramids, corners with four equivalent Cl(1)Ba5 square pyramids, corners with six equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(1)Ba5 square pyramid, edges with two equivalent Cl(2)Ba5 square pyramids, and  an edgeedge with one Cl(3)Ba4 trigonal pyramid. is represented by the CIF file [CIF]
data_Ba3CCl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.514
_cell_length_b   9.655
_cell_length_c   12.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1034.690
_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  0.455  0.750  0.534  1.0
  Ba  Ba1  1  0.955  0.750  0.966  1.0
  Ba  Ba2  1  0.545  0.250  0.466  1.0
  Ba  Ba3  1  0.045  0.250  0.034  1.0
  Ba  Ba4  1  0.552  0.991  0.180  1.0
  Ba  Ba5  1  0.052  0.509  0.320  1.0
  Ba  Ba6  1  0.448  0.491  0.820  1.0
  Ba  Ba7  1  0.948  0.009  0.680  1.0
  Ba  Ba8  1  0.448  0.009  0.820  1.0
  Ba  Ba9  1  0.948  0.491  0.680  1.0
  Ba  Ba10  1  0.552  0.509  0.180  1.0
  Ba  Ba11  1  0.052  0.991  0.320  1.0
  C  C12  1  0.221  0.750  0.787  1.0
  C  C13  1  0.721  0.750  0.713  1.0
  C  C14  1  0.779  0.250  0.213  1.0
  C  C15  1  0.279  0.250  0.287  1.0
  Cl  Cl16  1  0.546  0.750  0.986  1.0
  Cl  Cl17  1  0.046  0.750  0.514  1.0
  Cl  Cl18  1  0.454  0.250  0.014  1.0
  Cl  Cl19  1  0.954  0.250  0.486  1.0
  Cl  Cl20  1  0.339  0.750  0.295  1.0
  Cl  Cl21  1  0.839  0.750  0.205  1.0
  Cl  Cl22  1  0.661  0.250  0.705  1.0
  Cl  Cl23  1  0.161  0.250  0.795  1.0
  Cl  Cl24  1  0.698  0.541  0.423  1.0
  Cl  Cl25  1  0.198  0.959  0.077  1.0
  Cl  Cl26  1  0.302  0.041  0.577  1.0
  Cl  Cl27  1  0.802  0.459  0.923  1.0
  Cl  Cl28  1  0.302  0.459  0.577  1.0
  Cl  Cl29  1  0.802  0.041  0.923  1.0
  Cl  Cl30  1  0.698  0.959  0.423  1.0
  Cl  Cl31  1  0.198  0.541  0.077  1.0
  O  O32  1  0.156  0.632  0.813  1.0
  O  O33  1  0.656  0.868  0.687  1.0
  O  O34  1  0.844  0.132  0.187  1.0
  O  O35  1  0.344  0.368  0.313  1.0
  O  O36  1  0.844  0.368  0.187  1.0
  O  O37  1  0.344  0.132  0.313  1.0
  O  O38  1  0.156  0.868  0.813  1.0
  O  O39  1  0.656  0.632  0.687  1.0
  O  O40  1  0.358  0.750  0.742  1.0
  O  O41  1  0.858  0.750  0.758  1.0
  O  O42  1  0.642  0.250  0.258  1.0
  O  O43  1  0.142  0.250  0.242  1.0
[/CIF]
.
The material structure described by Ba3Cl4CO3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), one Cl(1), one Cl(2), and four equivalent Cl(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one C(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form ClBa5 square pyramids that share corners with four equivalent Cl(2)Ba5 square pyramids, corners with eight equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(2)Ba5 square pyramid, edges with two equivalent Cl(1)Ba5 square pyramids, edges with two equivalent Cl(3)Ba4 trigonal pyramids, and  a faceface with one Cl(2)Ba5 square pyramid. In the second Cl site, Cl(2) is bonded to one Ba(1) and four equivalent Ba(2) atoms to form distorted ClBa5 square pyramids that share corners with four equivalent Cl(1)Ba5 square pyramids, corners with four equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(1)Ba5 square pyramid, edges with two equivalent Cl(2)Ba5 square pyramids, edges with four equivalent Cl(3)Ba4 trigonal pyramids, and  a faceface with one Cl(1)Ba5 square pyramid. In the third Cl site, Cl(3) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form distorted ClBa4 trigonal pyramids that share corners with two equivalent Cl(2)Ba5 square pyramids, corners with four equivalent Cl(1)Ba5 square pyramids, corners with six equivalent Cl(3)Ba4 trigonal pyramids,  an edgeedge with one Cl(1)Ba5 square pyramid, edges with two equivalent Cl(2)Ba5 square pyramids, and  an edgeedge with one Cl(3)Ba4 trigonal pyramid. is represented by the CIF file [CIF]
data_Ba3CCl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.514
_cell_length_b   9.655
_cell_length_c   12.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1034.690
_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  0.455  0.750  0.534  1.0
  Ba  Ba1  1  0.955  0.750  0.966  1.0
  Ba  Ba2  1  0.545  0.250  0.466  1.0
  Ba  Ba3  1  0.045  0.250  0.034  1.0
  Ba  Ba4  1  0.552  0.991  0.180  1.0
  Ba  Ba5  1  0.052  0.509  0.320  1.0
  Ba  Ba6  1  0.448  0.491  0.820  1.0
  Ba  Ba7  1  0.948  0.009  0.680  1.0
  Ba  Ba8  1  0.448  0.009  0.820  1.0
  Ba  Ba9  1  0.948  0.491  0.680  1.0
  Ba  Ba10  1  0.552  0.509  0.180  1.0
  Ba  Ba11  1  0.052  0.991  0.320  1.0
  C  C12  1  0.221  0.750  0.787  1.0
  C  C13  1  0.721  0.750  0.713  1.0
  C  C14  1  0.779  0.250  0.213  1.0
  C  C15  1  0.279  0.250  0.287  1.0
  Cl  Cl16  1  0.546  0.750  0.986  1.0
  Cl  Cl17  1  0.046  0.750  0.514  1.0
  Cl  Cl18  1  0.454  0.250  0.014  1.0
  Cl  Cl19  1  0.954  0.250  0.486  1.0
  Cl  Cl20  1  0.339  0.750  0.295  1.0
  Cl  Cl21  1  0.839  0.750  0.205  1.0
  Cl  Cl22  1  0.661  0.250  0.705  1.0
  Cl  Cl23  1  0.161  0.250  0.795  1.0
  Cl  Cl24  1  0.698  0.541  0.423  1.0
  Cl  Cl25  1  0.198  0.959  0.077  1.0
  Cl  Cl26  1  0.302  0.041  0.577  1.0
  Cl  Cl27  1  0.802  0.459  0.923  1.0
  Cl  Cl28  1  0.302  0.459  0.577  1.0
  Cl  Cl29  1  0.802  0.041  0.923  1.0
  Cl  Cl30  1  0.698  0.959  0.423  1.0
  Cl  Cl31  1  0.198  0.541  0.077  1.0
  O  O32  1  0.156  0.632  0.813  1.0
  O  O33  1  0.656  0.868  0.687  1.0
  O  O34  1  0.844  0.132  0.187  1.0
  O  O35  1  0.344  0.368  0.313  1.0
  O  O36  1  0.844  0.368  0.187  1.0
  O  O37  1  0.344  0.132  0.313  1.0
  O  O38  1  0.156  0.868  0.813  1.0
  O  O39  1  0.656  0.632  0.687  1.0
  O  O40  1  0.358  0.750  0.742  1.0
  O  O41  1  0.858  0.750  0.758  1.0
  O  O42  1  0.642  0.250  0.258  1.0
  O  O43  1  0.142  0.250  0.242  1.0
[/CIF]
.