The material structure described by CrOCl3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CrOCl3 clusters. Cr(1,2) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1,2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cr(1,2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cr(1,2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cr(1,2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Cr(1,2) atoms. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to two equivalent Cr(1,2) atoms. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Cr(1,2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Cr(1,2) atom. is represented by the CIF card [CIF]
data_CrCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   14.527
_cell_length_c   12.160
_cell_angle_alpha   90.000
_cell_angle_beta   99.346
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1038.155
_cell_formula_units_Z   8
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  0.445  0.490  0.279  1.0
  Cr  Cr1  1  0.555  0.990  0.221  1.0
  Cr  Cr2  1  0.555  0.510  0.721  1.0
  Cr  Cr3  1  0.445  0.010  0.779  1.0
  Cr  Cr4  1  0.041  0.298  0.233  1.0
  Cr  Cr5  1  0.959  0.798  0.267  1.0
  Cr  Cr6  1  0.959  0.702  0.767  1.0
  Cr  Cr7  1  0.041  0.202  0.733  1.0
  Cl  Cl8  1  0.572  0.561  0.143  1.0
  Cl  Cl9  1  0.428  0.061  0.357  1.0
  Cl  Cl10  1  0.428  0.439  0.857  1.0
  Cl  Cl11  1  0.572  0.939  0.643  1.0
  Cl  Cl12  1  0.788  0.474  0.377  1.0
  Cl  Cl13  1  0.212  0.974  0.123  1.0
  Cl  Cl14  1  0.212  0.526  0.623  1.0
  Cl  Cl15  1  0.788  0.026  0.877  1.0
  Cl  Cl16  1  0.142  0.435  0.145  1.0
  Cl  Cl17  1  0.858  0.935  0.355  1.0
  Cl  Cl18  1  0.858  0.565  0.855  1.0
  Cl  Cl19  1  0.142  0.065  0.645  1.0
  Cl  Cl20  1  0.344  0.353  0.367  1.0
  Cl  Cl21  1  0.656  0.853  0.133  1.0
  Cl  Cl22  1  0.656  0.647  0.633  1.0
  Cl  Cl23  1  0.344  0.147  0.867  1.0
  Cl  Cl24  1  0.923  0.225  0.371  1.0
  Cl  Cl25  1  0.077  0.725  0.129  1.0
  Cl  Cl26  1  0.077  0.775  0.629  1.0
  Cl  Cl27  1  0.923  0.275  0.871  1.0
  Cl  Cl28  1  0.694  0.314  0.140  1.0
  Cl  Cl29  1  0.306  0.814  0.360  1.0
  Cl  Cl30  1  0.306  0.686  0.860  1.0
  Cl  Cl31  1  0.694  0.186  0.640  1.0
  O  O32  1  0.332  0.567  0.342  1.0
  O  O33  1  0.668  0.067  0.158  1.0
  O  O34  1  0.668  0.433  0.658  1.0
  O  O35  1  0.332  0.933  0.842  1.0
  O  O36  1  0.151  0.222  0.167  1.0
  O  O37  1  0.849  0.722  0.333  1.0
  O  O38  1  0.849  0.778  0.833  1.0
  O  O39  1  0.151  0.278  0.667  1.0
[/CIF]
.
The material structure described by CrOCl3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CrOCl3 clusters. Cr(1,2) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1,2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cr(1,2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cr(1,2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cr(1,2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Cr(1,2) atoms. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to two equivalent Cr(1,2) atoms. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Cr(1,2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Cr(1,2) atom. is represented by the CIF card [CIF]
data_CrCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   14.527
_cell_length_c   12.160
_cell_angle_alpha   90.000
_cell_angle_beta   99.346
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1038.155
_cell_formula_units_Z   8
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  0.445  0.490  0.279  1.0
  Cr  Cr1  1  0.555  0.990  0.221  1.0
  Cr  Cr2  1  0.555  0.510  0.721  1.0
  Cr  Cr3  1  0.445  0.010  0.779  1.0
  Cr  Cr4  1  0.041  0.298  0.233  1.0
  Cr  Cr5  1  0.959  0.798  0.267  1.0
  Cr  Cr6  1  0.959  0.702  0.767  1.0
  Cr  Cr7  1  0.041  0.202  0.733  1.0
  Cl  Cl8  1  0.572  0.561  0.143  1.0
  Cl  Cl9  1  0.428  0.061  0.357  1.0
  Cl  Cl10  1  0.428  0.439  0.857  1.0
  Cl  Cl11  1  0.572  0.939  0.643  1.0
  Cl  Cl12  1  0.788  0.474  0.377  1.0
  Cl  Cl13  1  0.212  0.974  0.123  1.0
  Cl  Cl14  1  0.212  0.526  0.623  1.0
  Cl  Cl15  1  0.788  0.026  0.877  1.0
  Cl  Cl16  1  0.142  0.435  0.145  1.0
  Cl  Cl17  1  0.858  0.935  0.355  1.0
  Cl  Cl18  1  0.858  0.565  0.855  1.0
  Cl  Cl19  1  0.142  0.065  0.645  1.0
  Cl  Cl20  1  0.344  0.353  0.367  1.0
  Cl  Cl21  1  0.656  0.853  0.133  1.0
  Cl  Cl22  1  0.656  0.647  0.633  1.0
  Cl  Cl23  1  0.344  0.147  0.867  1.0
  Cl  Cl24  1  0.923  0.225  0.371  1.0
  Cl  Cl25  1  0.077  0.725  0.129  1.0
  Cl  Cl26  1  0.077  0.775  0.629  1.0
  Cl  Cl27  1  0.923  0.275  0.871  1.0
  Cl  Cl28  1  0.694  0.314  0.140  1.0
  Cl  Cl29  1  0.306  0.814  0.360  1.0
  Cl  Cl30  1  0.306  0.686  0.860  1.0
  Cl  Cl31  1  0.694  0.186  0.640  1.0
  O  O32  1  0.332  0.567  0.342  1.0
  O  O33  1  0.668  0.067  0.158  1.0
  O  O34  1  0.668  0.433  0.658  1.0
  O  O35  1  0.332  0.933  0.842  1.0
  O  O36  1  0.151  0.222  0.167  1.0
  O  O37  1  0.849  0.722  0.333  1.0
  O  O38  1  0.849  0.778  0.833  1.0
  O  O39  1  0.151  0.278  0.667  1.0
[/CIF]
.