The compound described by Ba2W(CO2)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), one O(6), one O(8), two equivalent O(1), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. W(1) is bonded in a distorted single-bond geometry to one O(4) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(7) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), 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 one Ba(1), one Ba(2), and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one W(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(4) atom. is represented by the CIF file [CIF]
data_Ba2W(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   8.842
_cell_length_c   9.817
_cell_angle_alpha   64.646
_cell_angle_beta   85.003
_cell_angle_gamma   84.563
_symmetry_Int_Tables_number   1
_cell_volume   479.864
_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
  Ba  Ba0  1  0.212  0.142  0.565  1.0
  Ba  Ba1  1  0.788  0.858  0.435  1.0
  Ba  Ba2  1  0.719  0.472  0.201  1.0
  Ba  Ba3  1  0.281  0.528  0.799  1.0
  W  W4  1  0.751  0.047  0.004  1.0
  W  W5  1  0.249  0.953  0.996  1.0
  C  C6  1  0.386  0.216  0.186  1.0
  C  C7  1  0.614  0.784  0.814  1.0
  C  C8  1  0.327  0.681  0.379  1.0
  C  C9  1  0.673  0.319  0.621  1.0
  C  C10  1  0.133  0.225  0.184  1.0
  C  C11  1  0.867  0.775  0.816  1.0
  C  C12  1  0.180  0.582  0.330  1.0
  C  C13  1  0.820  0.418  0.670  1.0
  O  O14  1  0.026  0.146  0.308  1.0
  O  O15  1  0.974  0.854  0.692  1.0
  O  O16  1  0.473  0.133  0.312  1.0
  O  O17  1  0.527  0.867  0.688  1.0
  O  O18  1  0.270  0.457  0.308  1.0
  O  O19  1  0.730  0.543  0.692  1.0
  O  O20  1  0.490  0.302  0.063  1.0
  O  O21  1  0.510  0.698  0.937  1.0
  O  O22  1  0.240  0.744  0.466  1.0
  O  O23  1  0.760  0.256  0.534  1.0
  O  O24  1  0.474  0.313  0.669  1.0
  O  O25  1  0.526  0.687  0.331  1.0
  O  O26  1  0.047  0.320  0.061  1.0
  O  O27  1  0.953  0.680  0.939  1.0
  O  O28  1  0.022  0.372  0.682  1.0
  O  O29  1  0.978  0.628  0.318  1.0
[/CIF]
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The compound described by Ba2W(CO2)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), one O(6), one O(8), two equivalent O(1), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. W(1) is bonded in a distorted single-bond geometry to one O(4) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(7) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), 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 one Ba(1), one Ba(2), and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one W(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(4) atom. is represented by the CIF file [CIF]
data_Ba2W(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   8.842
_cell_length_c   9.817
_cell_angle_alpha   64.646
_cell_angle_beta   85.003
_cell_angle_gamma   84.563
_symmetry_Int_Tables_number   1
_cell_volume   479.864
_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
  Ba  Ba0  1  0.212  0.142  0.565  1.0
  Ba  Ba1  1  0.788  0.858  0.435  1.0
  Ba  Ba2  1  0.719  0.472  0.201  1.0
  Ba  Ba3  1  0.281  0.528  0.799  1.0
  W  W4  1  0.751  0.047  0.004  1.0
  W  W5  1  0.249  0.953  0.996  1.0
  C  C6  1  0.386  0.216  0.186  1.0
  C  C7  1  0.614  0.784  0.814  1.0
  C  C8  1  0.327  0.681  0.379  1.0
  C  C9  1  0.673  0.319  0.621  1.0
  C  C10  1  0.133  0.225  0.184  1.0
  C  C11  1  0.867  0.775  0.816  1.0
  C  C12  1  0.180  0.582  0.330  1.0
  C  C13  1  0.820  0.418  0.670  1.0
  O  O14  1  0.026  0.146  0.308  1.0
  O  O15  1  0.974  0.854  0.692  1.0
  O  O16  1  0.473  0.133  0.312  1.0
  O  O17  1  0.527  0.867  0.688  1.0
  O  O18  1  0.270  0.457  0.308  1.0
  O  O19  1  0.730  0.543  0.692  1.0
  O  O20  1  0.490  0.302  0.063  1.0
  O  O21  1  0.510  0.698  0.937  1.0
  O  O22  1  0.240  0.744  0.466  1.0
  O  O23  1  0.760  0.256  0.534  1.0
  O  O24  1  0.474  0.313  0.669  1.0
  O  O25  1  0.526  0.687  0.331  1.0
  O  O26  1  0.047  0.320  0.061  1.0
  O  O27  1  0.953  0.680  0.939  1.0
  O  O28  1  0.022  0.372  0.682  1.0
  O  O29  1  0.978  0.628  0.318  1.0
[/CIF]
.