The material described by Cr(CO)6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Cr(CO)6 clusters. Cr(1) is bonded in an octahedral geometry to one C(3), one C(4), two equivalent C(1), and two equivalent C(2) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cr(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Cr(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Cr(1) and one O(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Cr(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the third O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF card [CIF]
data_Cr(CO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   10.864
_cell_length_c   11.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.508
_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
  Cr  Cr0  1  0.061  0.250  0.128  1.0
  Cr  Cr1  1  0.561  0.750  0.372  1.0
  Cr  Cr2  1  0.939  0.750  0.872  1.0
  Cr  Cr3  1  0.439  0.250  0.628  1.0
  C  C4  1  0.057  0.874  0.776  1.0
  C  C5  1  0.943  0.374  0.224  1.0
  C  C6  1  0.943  0.126  0.224  1.0
  C  C7  1  0.823  0.873  0.970  1.0
  C  C8  1  0.677  0.873  0.470  1.0
  C  C9  1  0.804  0.250  0.039  1.0
  C  C10  1  0.323  0.127  0.530  1.0
  C  C11  1  0.177  0.127  0.030  1.0
  C  C12  1  0.677  0.627  0.470  1.0
  C  C13  1  0.304  0.750  0.461  1.0
  C  C14  1  0.177  0.373  0.030  1.0
  C  C15  1  0.443  0.874  0.276  1.0
  C  C16  1  0.184  0.250  0.718  1.0
  C  C17  1  0.696  0.250  0.539  1.0
  C  C18  1  0.557  0.374  0.724  1.0
  C  C19  1  0.557  0.126  0.724  1.0
  C  C20  1  0.196  0.750  0.961  1.0
  C  C21  1  0.823  0.627  0.970  1.0
  C  C22  1  0.323  0.373  0.530  1.0
  C  C23  1  0.443  0.626  0.276  1.0
  C  C24  1  0.057  0.626  0.776  1.0
  C  C25  1  0.316  0.250  0.218  1.0
  C  C26  1  0.684  0.750  0.782  1.0
  C  C27  1  0.816  0.750  0.282  1.0
  O  O28  1  0.630  0.049  0.781  1.0
  O  O29  1  0.870  0.049  0.281  1.0
  O  O30  1  0.370  0.951  0.219  1.0
  O  O31  1  0.353  0.750  0.014  1.0
  O  O32  1  0.254  0.053  0.469  1.0
  O  O33  1  0.147  0.750  0.514  1.0
  O  O34  1  0.529  0.750  0.727  1.0
  O  O35  1  0.647  0.250  0.986  1.0
  O  O36  1  0.246  0.053  0.969  1.0
  O  O37  1  0.971  0.750  0.227  1.0
  O  O38  1  0.130  0.549  0.719  1.0
  O  O39  1  0.370  0.549  0.219  1.0
  O  O40  1  0.754  0.947  0.031  1.0
  O  O41  1  0.254  0.447  0.469  1.0
  O  O42  1  0.754  0.553  0.031  1.0
  O  O43  1  0.246  0.447  0.969  1.0
  O  O44  1  0.130  0.951  0.719  1.0
  O  O45  1  0.746  0.947  0.531  1.0
  O  O46  1  0.746  0.553  0.531  1.0
  O  O47  1  0.630  0.451  0.781  1.0
  O  O48  1  0.029  0.250  0.773  1.0
  O  O49  1  0.471  0.250  0.273  1.0
  O  O50  1  0.870  0.451  0.281  1.0
  O  O51  1  0.853  0.250  0.486  1.0
[/CIF]
.
The material described by Cr(CO)6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Cr(CO)6 clusters. Cr(1) is bonded in an octahedral geometry to one C(3), one C(4), two equivalent C(1), and two equivalent C(2) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cr(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Cr(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Cr(1) and one O(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Cr(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the third O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF card [CIF]
data_Cr(CO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   10.864
_cell_length_c   11.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.508
_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
  Cr  Cr0  1  0.061  0.250  0.128  1.0
  Cr  Cr1  1  0.561  0.750  0.372  1.0
  Cr  Cr2  1  0.939  0.750  0.872  1.0
  Cr  Cr3  1  0.439  0.250  0.628  1.0
  C  C4  1  0.057  0.874  0.776  1.0
  C  C5  1  0.943  0.374  0.224  1.0
  C  C6  1  0.943  0.126  0.224  1.0
  C  C7  1  0.823  0.873  0.970  1.0
  C  C8  1  0.677  0.873  0.470  1.0
  C  C9  1  0.804  0.250  0.039  1.0
  C  C10  1  0.323  0.127  0.530  1.0
  C  C11  1  0.177  0.127  0.030  1.0
  C  C12  1  0.677  0.627  0.470  1.0
  C  C13  1  0.304  0.750  0.461  1.0
  C  C14  1  0.177  0.373  0.030  1.0
  C  C15  1  0.443  0.874  0.276  1.0
  C  C16  1  0.184  0.250  0.718  1.0
  C  C17  1  0.696  0.250  0.539  1.0
  C  C18  1  0.557  0.374  0.724  1.0
  C  C19  1  0.557  0.126  0.724  1.0
  C  C20  1  0.196  0.750  0.961  1.0
  C  C21  1  0.823  0.627  0.970  1.0
  C  C22  1  0.323  0.373  0.530  1.0
  C  C23  1  0.443  0.626  0.276  1.0
  C  C24  1  0.057  0.626  0.776  1.0
  C  C25  1  0.316  0.250  0.218  1.0
  C  C26  1  0.684  0.750  0.782  1.0
  C  C27  1  0.816  0.750  0.282  1.0
  O  O28  1  0.630  0.049  0.781  1.0
  O  O29  1  0.870  0.049  0.281  1.0
  O  O30  1  0.370  0.951  0.219  1.0
  O  O31  1  0.353  0.750  0.014  1.0
  O  O32  1  0.254  0.053  0.469  1.0
  O  O33  1  0.147  0.750  0.514  1.0
  O  O34  1  0.529  0.750  0.727  1.0
  O  O35  1  0.647  0.250  0.986  1.0
  O  O36  1  0.246  0.053  0.969  1.0
  O  O37  1  0.971  0.750  0.227  1.0
  O  O38  1  0.130  0.549  0.719  1.0
  O  O39  1  0.370  0.549  0.219  1.0
  O  O40  1  0.754  0.947  0.031  1.0
  O  O41  1  0.254  0.447  0.469  1.0
  O  O42  1  0.754  0.553  0.031  1.0
  O  O43  1  0.246  0.447  0.969  1.0
  O  O44  1  0.130  0.951  0.719  1.0
  O  O45  1  0.746  0.947  0.531  1.0
  O  O46  1  0.746  0.553  0.531  1.0
  O  O47  1  0.630  0.451  0.781  1.0
  O  O48  1  0.029  0.250  0.773  1.0
  O  O49  1  0.471  0.250  0.273  1.0
  O  O50  1  0.870  0.451  0.281  1.0
  O  O51  1  0.853  0.250  0.486  1.0
[/CIF]
.