The material structure described by RbCrCl3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form face-sharing CrCl6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form face-sharing CrCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Rb(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and face-sharing ClRb3Cr2 square pyramids. 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. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_RbCrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.057
_cell_length_b   7.057
_cell_length_c   12.750
_cell_angle_alpha   86.084
_cell_angle_beta   86.084
_cell_angle_gamma   59.579
_symmetry_Int_Tables_number   1
_cell_volume   545.850
_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  0.686  0.647  0.630  1.0
  Rb  Rb1  1  0.353  0.314  0.870  1.0
  Rb  Rb2  1  0.314  0.353  0.370  1.0
  Rb  Rb3  1  0.647  0.686  0.130  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cr  Cr6  1  0.961  0.039  0.250  1.0
  Cr  Cr7  1  0.039  0.961  0.750  1.0
  Cl  Cl8  1  0.128  0.719  0.142  1.0
  Cl  Cl9  1  0.281  0.872  0.358  1.0
  Cl  Cl10  1  0.872  0.281  0.858  1.0
  Cl  Cl11  1  0.719  0.128  0.642  1.0
  Cl  Cl12  1  0.190  0.643  0.647  1.0
  Cl  Cl13  1  0.357  0.810  0.853  1.0
  Cl  Cl14  1  0.810  0.357  0.353  1.0
  Cl  Cl15  1  0.643  0.190  0.147  1.0
  Cl  Cl16  1  0.853  0.818  0.914  1.0
  Cl  Cl17  1  0.182  0.147  0.586  1.0
  Cl  Cl18  1  0.147  0.182  0.086  1.0
  Cl  Cl19  1  0.818  0.853  0.414  1.0
[/CIF]
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The material structure described by RbCrCl3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form face-sharing CrCl6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form face-sharing CrCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Rb(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and face-sharing ClRb3Cr2 square pyramids. 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. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to three equivalent Rb(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_RbCrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.057
_cell_length_b   7.057
_cell_length_c   12.750
_cell_angle_alpha   86.084
_cell_angle_beta   86.084
_cell_angle_gamma   59.579
_symmetry_Int_Tables_number   1
_cell_volume   545.850
_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  0.686  0.647  0.630  1.0
  Rb  Rb1  1  0.353  0.314  0.870  1.0
  Rb  Rb2  1  0.314  0.353  0.370  1.0
  Rb  Rb3  1  0.647  0.686  0.130  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cr  Cr6  1  0.961  0.039  0.250  1.0
  Cr  Cr7  1  0.039  0.961  0.750  1.0
  Cl  Cl8  1  0.128  0.719  0.142  1.0
  Cl  Cl9  1  0.281  0.872  0.358  1.0
  Cl  Cl10  1  0.872  0.281  0.858  1.0
  Cl  Cl11  1  0.719  0.128  0.642  1.0
  Cl  Cl12  1  0.190  0.643  0.647  1.0
  Cl  Cl13  1  0.357  0.810  0.853  1.0
  Cl  Cl14  1  0.810  0.357  0.353  1.0
  Cl  Cl15  1  0.643  0.190  0.147  1.0
  Cl  Cl16  1  0.853  0.818  0.914  1.0
  Cl  Cl17  1  0.182  0.147  0.586  1.0
  Cl  Cl18  1  0.147  0.182  0.086  1.0
  Cl  Cl19  1  0.818  0.853  0.414  1.0
[/CIF]
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