The material described by Rb2CrOCl5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. Cr(1) is bonded in a distorted octahedral geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a single-bond geometry to one Cr(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Cr(1) atom to form distorted corner-sharing ClRb4Cr square pyramids. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Rb2CrCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   10.194
_cell_length_c   14.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1029.913
_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
  Rb  Rb0  1  0.696  0.999  0.141  1.0
  Rb  Rb1  1  0.804  0.501  0.641  1.0
  Rb  Rb2  1  0.304  0.499  0.859  1.0
  Rb  Rb3  1  0.196  0.001  0.359  1.0
  Rb  Rb4  1  0.304  0.001  0.859  1.0
  Rb  Rb5  1  0.196  0.499  0.359  1.0
  Rb  Rb6  1  0.696  0.501  0.141  1.0
  Rb  Rb7  1  0.804  0.999  0.641  1.0
  Cr  Cr8  1  0.691  0.750  0.399  1.0
  Cr  Cr9  1  0.809  0.750  0.899  1.0
  Cr  Cr10  1  0.309  0.250  0.601  1.0
  Cr  Cr11  1  0.191  0.250  0.101  1.0
  Cl  Cl12  1  0.954  0.750  0.497  1.0
  Cl  Cl13  1  0.546  0.750  0.997  1.0
  Cl  Cl14  1  0.046  0.250  0.503  1.0
  Cl  Cl15  1  0.454  0.250  0.003  1.0
  Cl  Cl16  1  0.924  0.750  0.267  1.0
  Cl  Cl17  1  0.576  0.750  0.767  1.0
  Cl  Cl18  1  0.076  0.250  0.733  1.0
  Cl  Cl19  1  0.424  0.250  0.233  1.0
  Cl  Cl20  1  0.470  0.750  0.275  1.0
  Cl  Cl21  1  0.030  0.750  0.775  1.0
  Cl  Cl22  1  0.530  0.250  0.725  1.0
  Cl  Cl23  1  0.970  0.250  0.225  1.0
  Cl  Cl24  1  0.707  0.980  0.390  1.0
  Cl  Cl25  1  0.793  0.520  0.890  1.0
  Cl  Cl26  1  0.293  0.480  0.610  1.0
  Cl  Cl27  1  0.206  0.020  0.110  1.0
  Cl  Cl28  1  0.293  0.020  0.610  1.0
  Cl  Cl29  1  0.206  0.480  0.110  1.0
  Cl  Cl30  1  0.707  0.520  0.390  1.0
  Cl  Cl31  1  0.793  0.980  0.890  1.0
  O  O32  1  0.536  0.750  0.481  1.0
  O  O33  1  0.964  0.750  0.981  1.0
  O  O34  1  0.464  0.250  0.519  1.0
  O  O35  1  0.036  0.250  0.019  1.0
[/CIF]
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The material described by Rb2CrOCl5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. Cr(1) is bonded in a distorted octahedral geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a single-bond geometry to one Cr(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Cr(1) atom to form distorted corner-sharing ClRb4Cr square pyramids. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Rb2CrCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   10.194
_cell_length_c   14.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1029.913
_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
  Rb  Rb0  1  0.696  0.999  0.141  1.0
  Rb  Rb1  1  0.804  0.501  0.641  1.0
  Rb  Rb2  1  0.304  0.499  0.859  1.0
  Rb  Rb3  1  0.196  0.001  0.359  1.0
  Rb  Rb4  1  0.304  0.001  0.859  1.0
  Rb  Rb5  1  0.196  0.499  0.359  1.0
  Rb  Rb6  1  0.696  0.501  0.141  1.0
  Rb  Rb7  1  0.804  0.999  0.641  1.0
  Cr  Cr8  1  0.691  0.750  0.399  1.0
  Cr  Cr9  1  0.809  0.750  0.899  1.0
  Cr  Cr10  1  0.309  0.250  0.601  1.0
  Cr  Cr11  1  0.191  0.250  0.101  1.0
  Cl  Cl12  1  0.954  0.750  0.497  1.0
  Cl  Cl13  1  0.546  0.750  0.997  1.0
  Cl  Cl14  1  0.046  0.250  0.503  1.0
  Cl  Cl15  1  0.454  0.250  0.003  1.0
  Cl  Cl16  1  0.924  0.750  0.267  1.0
  Cl  Cl17  1  0.576  0.750  0.767  1.0
  Cl  Cl18  1  0.076  0.250  0.733  1.0
  Cl  Cl19  1  0.424  0.250  0.233  1.0
  Cl  Cl20  1  0.470  0.750  0.275  1.0
  Cl  Cl21  1  0.030  0.750  0.775  1.0
  Cl  Cl22  1  0.530  0.250  0.725  1.0
  Cl  Cl23  1  0.970  0.250  0.225  1.0
  Cl  Cl24  1  0.707  0.980  0.390  1.0
  Cl  Cl25  1  0.793  0.520  0.890  1.0
  Cl  Cl26  1  0.293  0.480  0.610  1.0
  Cl  Cl27  1  0.206  0.020  0.110  1.0
  Cl  Cl28  1  0.293  0.020  0.610  1.0
  Cl  Cl29  1  0.206  0.480  0.110  1.0
  Cl  Cl30  1  0.707  0.520  0.390  1.0
  Cl  Cl31  1  0.793  0.980  0.890  1.0
  O  O32  1  0.536  0.750  0.481  1.0
  O  O33  1  0.964  0.750  0.981  1.0
  O  O34  1  0.464  0.250  0.519  1.0
  O  O35  1  0.036  0.250  0.019  1.0
[/CIF]
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