The crystal structure described by CrH12(O2Cl)3 crystallizes in the trigonal R-3c space group. Cr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one H(1), and one H(2) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent H(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrH12(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.053
_cell_length_b   8.053
_cell_length_c   8.053
_cell_angle_alpha   97.929
_cell_angle_beta   97.929
_cell_angle_gamma   97.929
_symmetry_Int_Tables_number   1
_cell_volume   505.664
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.279  0.237  0.541  1.0
  H  H3  1  0.541  0.279  0.237  1.0
  H  H4  1  0.237  0.541  0.279  1.0
  H  H5  1  0.041  0.737  0.779  1.0
  H  H6  1  0.779  0.041  0.737  1.0
  H  H7  1  0.737  0.779  0.041  1.0
  H  H8  1  0.721  0.763  0.459  1.0
  H  H9  1  0.459  0.721  0.763  1.0
  H  H10  1  0.763  0.459  0.721  1.0
  H  H11  1  0.959  0.263  0.221  1.0
  H  H12  1  0.221  0.959  0.263  1.0
  H  H13  1  0.263  0.221  0.959  1.0
  H  H14  1  0.204  0.408  0.614  1.0
  H  H15  1  0.614  0.204  0.408  1.0
  H  H16  1  0.408  0.614  0.204  1.0
  H  H17  1  0.114  0.908  0.704  1.0
  H  H18  1  0.704  0.114  0.908  1.0
  H  H19  1  0.908  0.704  0.114  1.0
  H  H20  1  0.796  0.592  0.386  1.0
  H  H21  1  0.386  0.796  0.592  1.0
  H  H22  1  0.592  0.386  0.796  1.0
  H  H23  1  0.886  0.092  0.296  1.0
  H  H24  1  0.296  0.886  0.092  1.0
  H  H25  1  0.092  0.296  0.886  1.0
  Cl  Cl26  1  0.978  0.522  0.250  1.0
  Cl  Cl27  1  0.250  0.978  0.522  1.0
  Cl  Cl28  1  0.522  0.250  0.978  1.0
  Cl  Cl29  1  0.750  0.022  0.478  1.0
  Cl  Cl30  1  0.478  0.750  0.022  1.0
  Cl  Cl31  1  0.022  0.478  0.750  1.0
  O  O32  1  0.291  0.364  0.550  1.0
  O  O33  1  0.550  0.291  0.364  1.0
  O  O34  1  0.364  0.550  0.291  1.0
  O  O35  1  0.050  0.864  0.791  1.0
  O  O36  1  0.791  0.050  0.864  1.0
  O  O37  1  0.864  0.791  0.050  1.0
  O  O38  1  0.709  0.636  0.450  1.0
  O  O39  1  0.450  0.709  0.636  1.0
  O  O40  1  0.636  0.450  0.709  1.0
  O  O41  1  0.950  0.136  0.209  1.0
  O  O42  1  0.209  0.950  0.136  1.0
  O  O43  1  0.136  0.209  0.950  1.0
[/CIF]
.
The crystal structure described by CrH12(O2Cl)3 crystallizes in the trigonal R-3c space group. Cr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one H(1), and one H(2) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent H(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrH12(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.053
_cell_length_b   8.053
_cell_length_c   8.053
_cell_angle_alpha   97.929
_cell_angle_beta   97.929
_cell_angle_gamma   97.929
_symmetry_Int_Tables_number   1
_cell_volume   505.664
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.279  0.237  0.541  1.0
  H  H3  1  0.541  0.279  0.237  1.0
  H  H4  1  0.237  0.541  0.279  1.0
  H  H5  1  0.041  0.737  0.779  1.0
  H  H6  1  0.779  0.041  0.737  1.0
  H  H7  1  0.737  0.779  0.041  1.0
  H  H8  1  0.721  0.763  0.459  1.0
  H  H9  1  0.459  0.721  0.763  1.0
  H  H10  1  0.763  0.459  0.721  1.0
  H  H11  1  0.959  0.263  0.221  1.0
  H  H12  1  0.221  0.959  0.263  1.0
  H  H13  1  0.263  0.221  0.959  1.0
  H  H14  1  0.204  0.408  0.614  1.0
  H  H15  1  0.614  0.204  0.408  1.0
  H  H16  1  0.408  0.614  0.204  1.0
  H  H17  1  0.114  0.908  0.704  1.0
  H  H18  1  0.704  0.114  0.908  1.0
  H  H19  1  0.908  0.704  0.114  1.0
  H  H20  1  0.796  0.592  0.386  1.0
  H  H21  1  0.386  0.796  0.592  1.0
  H  H22  1  0.592  0.386  0.796  1.0
  H  H23  1  0.886  0.092  0.296  1.0
  H  H24  1  0.296  0.886  0.092  1.0
  H  H25  1  0.092  0.296  0.886  1.0
  Cl  Cl26  1  0.978  0.522  0.250  1.0
  Cl  Cl27  1  0.250  0.978  0.522  1.0
  Cl  Cl28  1  0.522  0.250  0.978  1.0
  Cl  Cl29  1  0.750  0.022  0.478  1.0
  Cl  Cl30  1  0.478  0.750  0.022  1.0
  Cl  Cl31  1  0.022  0.478  0.750  1.0
  O  O32  1  0.291  0.364  0.550  1.0
  O  O33  1  0.550  0.291  0.364  1.0
  O  O34  1  0.364  0.550  0.291  1.0
  O  O35  1  0.050  0.864  0.791  1.0
  O  O36  1  0.791  0.050  0.864  1.0
  O  O37  1  0.864  0.791  0.050  1.0
  O  O38  1  0.709  0.636  0.450  1.0
  O  O39  1  0.450  0.709  0.636  1.0
  O  O40  1  0.636  0.450  0.709  1.0
  O  O41  1  0.950  0.136  0.209  1.0
  O  O42  1  0.209  0.950  0.136  1.0
  O  O43  1  0.136  0.209  0.950  1.0
[/CIF]
.