The structure described by Rb2CrCl3Br is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Aea2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Br(1), four equivalent Cl(1), and four equivalent Cl(2) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to four equivalent Br(1), one Cl(1), and four equivalent Cl(2) atoms. Cr(1) is bonded to one Br(1), one Cl(1), and four equivalent Cl(2) atoms to form corner-sharing CrBrCl5 octahedra. The corner-sharing octahedral tilt angles are 1°. Br(1) is bonded to one Rb(1), four equivalent Rb(2), and one Cr(1) atom to form distorted BrRb5Cr octahedra that share  a cornercorner with one Cl(1)Rb5Cr octahedra, corners with four equivalent Br(1)Rb5Cr octahedra, corners with twelve equivalent Cl(2)Rb4Cr2 octahedra, edges with four equivalent Br(1)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(2), four equivalent Rb(1), and one Cr(1) atom to form distorted ClRb5Cr octahedra that share  a cornercorner with one Br(1)Rb5Cr octahedra, corners with four equivalent Cl(1)Rb5Cr octahedra, corners with twelve equivalent Cl(2)Rb4Cr2 octahedra, edges with four equivalent Br(1)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second Cl site, Cl(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cr(1) atoms to form distorted ClRb4Cr2 octahedra that share corners with two equivalent Cl(2)Rb4Cr2 octahedra, corners with six equivalent Br(1)Rb5Cr octahedra, corners with six equivalent Cl(1)Rb5Cr octahedra, edges with two equivalent Cl(2)Rb4Cr2 octahedra, faces with two equivalent Br(1)Rb5Cr octahedra, faces with two equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. is represented by the CIF file [CIF]
data_Rb2CrBrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.040
_cell_length_b   9.040
_cell_length_c   7.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.781
_symmetry_Int_Tables_number   1
_cell_volume   434.439
_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  0.864  0.136  0.500  1.0
  Rb  Rb1  1  0.364  0.636  0.000  1.0
  Rb  Rb2  1  0.139  0.861  0.500  1.0
  Rb  Rb3  1  0.639  0.361  0.000  1.0
  Cr  Cr4  1  0.497  0.503  0.500  1.0
  Cr  Cr5  1  0.997  0.003  0.000  1.0
  Br  Br6  1  0.655  0.345  0.500  1.0
  Br  Br7  1  0.155  0.845  0.000  1.0
  Cl  Cl8  1  0.348  0.652  0.500  1.0
  Cl  Cl9  1  0.848  0.152  0.000  1.0
  Cl  Cl10  1  0.740  0.743  0.740  1.0
  Cl  Cl11  1  0.257  0.260  0.260  1.0
  Cl  Cl12  1  0.757  0.760  0.240  1.0
  Cl  Cl13  1  0.240  0.243  0.760  1.0
[/CIF]
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The structure described by Rb2CrCl3Br is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Aea2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Br(1), four equivalent Cl(1), and four equivalent Cl(2) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to four equivalent Br(1), one Cl(1), and four equivalent Cl(2) atoms. Cr(1) is bonded to one Br(1), one Cl(1), and four equivalent Cl(2) atoms to form corner-sharing CrBrCl5 octahedra. The corner-sharing octahedral tilt angles are 1°. Br(1) is bonded to one Rb(1), four equivalent Rb(2), and one Cr(1) atom to form distorted BrRb5Cr octahedra that share  a cornercorner with one Cl(1)Rb5Cr octahedra, corners with four equivalent Br(1)Rb5Cr octahedra, corners with twelve equivalent Cl(2)Rb4Cr2 octahedra, edges with four equivalent Br(1)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(2), four equivalent Rb(1), and one Cr(1) atom to form distorted ClRb5Cr octahedra that share  a cornercorner with one Br(1)Rb5Cr octahedra, corners with four equivalent Cl(1)Rb5Cr octahedra, corners with twelve equivalent Cl(2)Rb4Cr2 octahedra, edges with four equivalent Br(1)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second Cl site, Cl(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cr(1) atoms to form distorted ClRb4Cr2 octahedra that share corners with two equivalent Cl(2)Rb4Cr2 octahedra, corners with six equivalent Br(1)Rb5Cr octahedra, corners with six equivalent Cl(1)Rb5Cr octahedra, edges with two equivalent Cl(2)Rb4Cr2 octahedra, faces with two equivalent Br(1)Rb5Cr octahedra, faces with two equivalent Cl(1)Rb5Cr octahedra, and faces with four equivalent Cl(2)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. is represented by the CIF file [CIF]
data_Rb2CrBrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.040
_cell_length_b   9.040
_cell_length_c   7.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.781
_symmetry_Int_Tables_number   1
_cell_volume   434.439
_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  0.864  0.136  0.500  1.0
  Rb  Rb1  1  0.364  0.636  0.000  1.0
  Rb  Rb2  1  0.139  0.861  0.500  1.0
  Rb  Rb3  1  0.639  0.361  0.000  1.0
  Cr  Cr4  1  0.497  0.503  0.500  1.0
  Cr  Cr5  1  0.997  0.003  0.000  1.0
  Br  Br6  1  0.655  0.345  0.500  1.0
  Br  Br7  1  0.155  0.845  0.000  1.0
  Cl  Cl8  1  0.348  0.652  0.500  1.0
  Cl  Cl9  1  0.848  0.152  0.000  1.0
  Cl  Cl10  1  0.740  0.743  0.740  1.0
  Cl  Cl11  1  0.257  0.260  0.260  1.0
  Cl  Cl12  1  0.757  0.760  0.240  1.0
  Cl  Cl13  1  0.240  0.243  0.760  1.0
[/CIF]
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