The compound described by Rb2CuCl3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form distorted RbCl7 pentagonal bipyramids that share corners with two equivalent Rb(2)Cl7 pentagonal bipyramids,  a cornercorner with one Cu(1)Cl4 tetrahedra, edges with four equivalent Rb(2)Cl7 pentagonal bipyramids, and edges with four equivalent Cu(1)Cl4 tetrahedra. Cu(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form CuCl4 tetrahedra that share  a cornercorner with one Rb(2)Cl7 pentagonal bipyramid, corners with two equivalent Cu(1)Cl4 tetrahedra, and edges with four equivalent Rb(2)Cl7 pentagonal bipyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with two equivalent Cl(3)Rb4Cu2 octahedra, corners with eight equivalent Cl(2)Rb5Cu octahedra,  an edgeedge with one Cl(2)Rb5Cu octahedra, edges with four equivalent Cl(1)Rb5Cu octahedra, edges with five equivalent Cl(3)Rb4Cu2 octahedra, and  a faceface with one Cl(2)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 13-60°. In the second Cl site, Cl(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with five equivalent Cl(3)Rb4Cu2 octahedra, corners with eight equivalent Cl(1)Rb5Cu octahedra,  an edgeedge with one Cl(1)Rb5Cu octahedra, edges with two equivalent Cl(3)Rb4Cu2 octahedra, edges with four equivalent Cl(2)Rb5Cu octahedra,  a faceface with one Cl(3)Rb4Cu2 octahedra, and  a faceface with one Cl(1)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 27-61°. In the third Cl site, Cl(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cu(1) atoms to form distorted ClRb4Cu2 octahedra that share corners with two equivalent Cl(3)Rb4Cu2 octahedra, corners with two equivalent Cl(1)Rb5Cu octahedra, corners with five equivalent Cl(2)Rb5Cu octahedra, edges with two equivalent Cl(3)Rb4Cu2 octahedra, edges with two equivalent Cl(2)Rb5Cu octahedra, edges with five equivalent Cl(1)Rb5Cu octahedra, and  a faceface with one Cl(2)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 13-61°. is represented by the CIF card [CIF]
data_Rb2CuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   12.552
_cell_length_c   12.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.913
_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  0.750  0.327  0.026  1.0
  Rb  Rb1  1  0.250  0.173  0.526  1.0
  Rb  Rb2  1  0.750  0.827  0.474  1.0
  Rb  Rb3  1  0.250  0.513  0.327  1.0
  Rb  Rb4  1  0.750  0.987  0.827  1.0
  Rb  Rb5  1  0.250  0.673  0.974  1.0
  Rb  Rb6  1  0.750  0.487  0.673  1.0
  Rb  Rb7  1  0.250  0.013  0.173  1.0
  Cu  Cu8  1  0.750  0.244  0.309  1.0
  Cu  Cu9  1  0.250  0.756  0.691  1.0
  Cu  Cu10  1  0.750  0.744  0.191  1.0
  Cu  Cu11  1  0.250  0.256  0.809  1.0
  Cl  Cl12  1  0.250  0.934  0.640  1.0
  Cl  Cl13  1  0.750  0.360  0.448  1.0
  Cl  Cl14  1  0.250  0.640  0.552  1.0
  Cl  Cl15  1  0.250  0.772  0.278  1.0
  Cl  Cl16  1  0.250  0.434  0.860  1.0
  Cl  Cl17  1  0.750  0.860  0.052  1.0
  Cl  Cl18  1  0.750  0.066  0.360  1.0
  Cl  Cl19  1  0.250  0.272  0.222  1.0
  Cl  Cl20  1  0.750  0.728  0.778  1.0
  Cl  Cl21  1  0.750  0.228  0.722  1.0
  Cl  Cl22  1  0.250  0.140  0.948  1.0
  Cl  Cl23  1  0.750  0.566  0.140  1.0
[/CIF]
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The compound described by Rb2CuCl3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form distorted RbCl7 pentagonal bipyramids that share corners with two equivalent Rb(2)Cl7 pentagonal bipyramids,  a cornercorner with one Cu(1)Cl4 tetrahedra, edges with four equivalent Rb(2)Cl7 pentagonal bipyramids, and edges with four equivalent Cu(1)Cl4 tetrahedra. Cu(1) is bonded to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms to form CuCl4 tetrahedra that share  a cornercorner with one Rb(2)Cl7 pentagonal bipyramid, corners with two equivalent Cu(1)Cl4 tetrahedra, and edges with four equivalent Rb(2)Cl7 pentagonal bipyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with two equivalent Cl(3)Rb4Cu2 octahedra, corners with eight equivalent Cl(2)Rb5Cu octahedra,  an edgeedge with one Cl(2)Rb5Cu octahedra, edges with four equivalent Cl(1)Rb5Cu octahedra, edges with five equivalent Cl(3)Rb4Cu2 octahedra, and  a faceface with one Cl(2)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 13-60°. In the second Cl site, Cl(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Cu(1) atom to form distorted ClRb5Cu octahedra that share corners with five equivalent Cl(3)Rb4Cu2 octahedra, corners with eight equivalent Cl(1)Rb5Cu octahedra,  an edgeedge with one Cl(1)Rb5Cu octahedra, edges with two equivalent Cl(3)Rb4Cu2 octahedra, edges with four equivalent Cl(2)Rb5Cu octahedra,  a faceface with one Cl(3)Rb4Cu2 octahedra, and  a faceface with one Cl(1)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 27-61°. In the third Cl site, Cl(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cu(1) atoms to form distorted ClRb4Cu2 octahedra that share corners with two equivalent Cl(3)Rb4Cu2 octahedra, corners with two equivalent Cl(1)Rb5Cu octahedra, corners with five equivalent Cl(2)Rb5Cu octahedra, edges with two equivalent Cl(3)Rb4Cu2 octahedra, edges with two equivalent Cl(2)Rb5Cu octahedra, edges with five equivalent Cl(1)Rb5Cu octahedra, and  a faceface with one Cl(2)Rb5Cu octahedra. The corner-sharing octahedral tilt angles range from 13-61°. is represented by the CIF card [CIF]
data_Rb2CuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   12.552
_cell_length_c   12.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.913
_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  0.750  0.327  0.026  1.0
  Rb  Rb1  1  0.250  0.173  0.526  1.0
  Rb  Rb2  1  0.750  0.827  0.474  1.0
  Rb  Rb3  1  0.250  0.513  0.327  1.0
  Rb  Rb4  1  0.750  0.987  0.827  1.0
  Rb  Rb5  1  0.250  0.673  0.974  1.0
  Rb  Rb6  1  0.750  0.487  0.673  1.0
  Rb  Rb7  1  0.250  0.013  0.173  1.0
  Cu  Cu8  1  0.750  0.244  0.309  1.0
  Cu  Cu9  1  0.250  0.756  0.691  1.0
  Cu  Cu10  1  0.750  0.744  0.191  1.0
  Cu  Cu11  1  0.250  0.256  0.809  1.0
  Cl  Cl12  1  0.250  0.934  0.640  1.0
  Cl  Cl13  1  0.750  0.360  0.448  1.0
  Cl  Cl14  1  0.250  0.640  0.552  1.0
  Cl  Cl15  1  0.250  0.772  0.278  1.0
  Cl  Cl16  1  0.250  0.434  0.860  1.0
  Cl  Cl17  1  0.750  0.860  0.052  1.0
  Cl  Cl18  1  0.750  0.066  0.360  1.0
  Cl  Cl19  1  0.250  0.272  0.222  1.0
  Cl  Cl20  1  0.750  0.728  0.778  1.0
  Cl  Cl21  1  0.750  0.228  0.722  1.0
  Cl  Cl22  1  0.250  0.140  0.948  1.0
  Cl  Cl23  1  0.750  0.566  0.140  1.0
[/CIF]
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