The compound described by Rb2CuCl4 is (La,Ba)CuO4-like structured and crystallizes in the orthorhombic Cmce space group. Rb(1) is bonded in a 9-coordinate geometry to four equivalent Cl(2) and five equivalent Cl(1) atoms. Cu(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing CuCl6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to five equivalent Rb(1) and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with five equivalent Cl(1)Rb5Cu octahedra, corners with twelve equivalent Cl(2)Rb4Cu2 octahedra, edges with eight equivalent Cl(1)Rb5Cu octahedra, and faces with four equivalent Cl(2)Rb4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and two equivalent Cu(1) atoms to form distorted ClRb4Cu2 octahedra that share corners with two equivalent Cl(2)Rb4Cu2 octahedra, corners with twelve equivalent Cl(1)Rb5Cu octahedra, edges with two equivalent Cl(2)Rb4Cu2 octahedra, faces with four equivalent Cl(2)Rb4Cu2 octahedra, and faces with four equivalent Cl(1)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Rb2CuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.037
_symmetry_Int_Tables_number   1
_cell_volume   399.715
_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  0.139  0.861  0.500  1.0
  Rb  Rb1  1  0.639  0.361  0.000  1.0
  Rb  Rb2  1  0.361  0.639  0.000  1.0
  Rb  Rb3  1  0.861  0.139  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.850  0.150  0.000  1.0
  Cl  Cl7  1  0.650  0.350  0.500  1.0
  Cl  Cl8  1  0.150  0.850  0.000  1.0
  Cl  Cl9  1  0.226  0.226  0.775  1.0
  Cl  Cl10  1  0.350  0.650  0.500  1.0
  Cl  Cl11  1  0.274  0.274  0.275  1.0
  Cl  Cl12  1  0.726  0.726  0.725  1.0
  Cl  Cl13  1  0.774  0.774  0.225  1.0
[/CIF]
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The compound described by Rb2CuCl4 is (La,Ba)CuO4-like structured and crystallizes in the orthorhombic Cmce space group. Rb(1) is bonded in a 9-coordinate geometry to four equivalent Cl(2) and five equivalent Cl(1) atoms. Cu(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing CuCl6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to five equivalent Rb(1) and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with five equivalent Cl(1)Rb5Cu octahedra, corners with twelve equivalent Cl(2)Rb4Cu2 octahedra, edges with eight equivalent Cl(1)Rb5Cu octahedra, and faces with four equivalent Cl(2)Rb4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and two equivalent Cu(1) atoms to form distorted ClRb4Cu2 octahedra that share corners with two equivalent Cl(2)Rb4Cu2 octahedra, corners with twelve equivalent Cl(1)Rb5Cu octahedra, edges with two equivalent Cl(2)Rb4Cu2 octahedra, faces with four equivalent Cl(2)Rb4Cu2 octahedra, and faces with four equivalent Cl(1)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Rb2CuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.037
_symmetry_Int_Tables_number   1
_cell_volume   399.715
_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  0.139  0.861  0.500  1.0
  Rb  Rb1  1  0.639  0.361  0.000  1.0
  Rb  Rb2  1  0.361  0.639  0.000  1.0
  Rb  Rb3  1  0.861  0.139  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.850  0.150  0.000  1.0
  Cl  Cl7  1  0.650  0.350  0.500  1.0
  Cl  Cl8  1  0.150  0.850  0.000  1.0
  Cl  Cl9  1  0.226  0.226  0.775  1.0
  Cl  Cl10  1  0.350  0.650  0.500  1.0
  Cl  Cl11  1  0.274  0.274  0.275  1.0
  Cl  Cl12  1  0.726  0.726  0.725  1.0
  Cl  Cl13  1  0.774  0.774  0.225  1.0
[/CIF]
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