The crystal structure described by RbCrCl3 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form face-sharing CrCl6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form face-sharing CrCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.313
_cell_length_b   7.101
_cell_length_c   7.135
_cell_angle_alpha   60.158
_cell_angle_beta   88.021
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.235
_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
  Rb  Rb0  1  0.755  0.334  0.332  1.0
  Rb  Rb1  1  0.245  0.666  0.668  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.220  0.682  0.160  1.0
  Cl  Cl5  1  0.220  0.158  0.160  1.0
  Cl  Cl6  1  0.310  0.163  0.674  1.0
  Cl  Cl7  1  0.780  0.318  0.840  1.0
  Cl  Cl8  1  0.780  0.842  0.840  1.0
  Cl  Cl9  1  0.690  0.837  0.326  1.0
[/CIF]
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The crystal structure described by RbCrCl3 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form face-sharing CrCl6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form face-sharing CrCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.313
_cell_length_b   7.101
_cell_length_c   7.135
_cell_angle_alpha   60.158
_cell_angle_beta   88.021
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.235
_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
  Rb  Rb0  1  0.755  0.334  0.332  1.0
  Rb  Rb1  1  0.245  0.666  0.668  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.220  0.682  0.160  1.0
  Cl  Cl5  1  0.220  0.158  0.160  1.0
  Cl  Cl6  1  0.310  0.163  0.674  1.0
  Cl  Cl7  1  0.780  0.318  0.840  1.0
  Cl  Cl8  1  0.780  0.842  0.840  1.0
  Cl  Cl9  1  0.690  0.837  0.326  1.0
[/CIF]
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