The compound described by Rb3LuCl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(6) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Lu site, Lu(2) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Lu(2) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Lu(1) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Lu(2) atom. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Lu(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Lu(1) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), and one Lu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3LuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.429
_cell_length_b   13.429
_cell_length_c   12.684
_cell_angle_alpha   80.881
_cell_angle_beta   80.881
_cell_angle_gamma   34.039
_symmetry_Int_Tables_number   1
_cell_volume   1262.656
_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  0.294  0.809  0.564  1.0
  Rb  Rb1  1  0.706  0.191  0.436  1.0
  Rb  Rb2  1  0.191  0.706  0.936  1.0
  Rb  Rb3  1  0.809  0.294  0.064  1.0
  Rb  Rb4  1  0.471  0.837  0.855  1.0
  Rb  Rb5  1  0.529  0.163  0.145  1.0
  Rb  Rb6  1  0.163  0.529  0.645  1.0
  Rb  Rb7  1  0.837  0.471  0.355  1.0
  Rb  Rb8  1  0.653  0.022  0.802  1.0
  Rb  Rb9  1  0.347  0.978  0.198  1.0
  Rb  Rb10  1  0.978  0.347  0.698  1.0
  Rb  Rb11  1  0.022  0.653  0.302  1.0
  Lu  Lu12  1  0.789  0.210  0.750  1.0
  Lu  Lu13  1  0.210  0.789  0.250  1.0
  Lu  Lu14  1  0.500  0.000  0.500  1.0
  Lu  Lu15  1  0.000  0.500  1.000  1.0
  Cl  Cl16  1  0.621  0.724  0.577  1.0
  Cl  Cl17  1  0.379  0.276  0.423  1.0
  Cl  Cl18  1  0.276  0.379  0.923  1.0
  Cl  Cl19  1  0.724  0.621  0.077  1.0
  Cl  Cl20  1  0.506  0.377  0.681  1.0
  Cl  Cl21  1  0.494  0.623  0.319  1.0
  Cl  Cl22  1  0.623  0.494  0.819  1.0
  Cl  Cl23  1  0.377  0.506  0.181  1.0
  Cl  Cl24  1  0.785  0.857  0.533  1.0
  Cl  Cl25  1  0.215  0.143  0.467  1.0
  Cl  Cl26  1  0.143  0.215  0.967  1.0
  Cl  Cl27  1  0.857  0.785  0.033  1.0
  Cl  Cl28  1  0.907  0.974  0.199  1.0
  Cl  Cl29  1  0.093  0.026  0.801  1.0
  Cl  Cl30  1  0.026  0.093  0.301  1.0
  Cl  Cl31  1  0.974  0.907  0.699  1.0
  Cl  Cl32  1  0.727  0.160  0.936  1.0
  Cl  Cl33  1  0.273  0.840  0.064  1.0
  Cl  Cl34  1  0.840  0.273  0.564  1.0
  Cl  Cl35  1  0.160  0.727  0.436  1.0
  Cl  Cl36  1  0.367  0.133  0.687  1.0
  Cl  Cl37  1  0.633  0.867  0.313  1.0
  Cl  Cl38  1  0.867  0.633  0.813  1.0
  Cl  Cl39  1  0.133  0.367  0.187  1.0
[/CIF]
.
The compound described by Rb3LuCl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(6) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Lu site, Lu(2) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Lu(2) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Lu(1) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Lu(2) atom. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Lu(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Lu(1) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), and one Lu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3LuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.429
_cell_length_b   13.429
_cell_length_c   12.684
_cell_angle_alpha   80.881
_cell_angle_beta   80.881
_cell_angle_gamma   34.039
_symmetry_Int_Tables_number   1
_cell_volume   1262.656
_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  0.294  0.809  0.564  1.0
  Rb  Rb1  1  0.706  0.191  0.436  1.0
  Rb  Rb2  1  0.191  0.706  0.936  1.0
  Rb  Rb3  1  0.809  0.294  0.064  1.0
  Rb  Rb4  1  0.471  0.837  0.855  1.0
  Rb  Rb5  1  0.529  0.163  0.145  1.0
  Rb  Rb6  1  0.163  0.529  0.645  1.0
  Rb  Rb7  1  0.837  0.471  0.355  1.0
  Rb  Rb8  1  0.653  0.022  0.802  1.0
  Rb  Rb9  1  0.347  0.978  0.198  1.0
  Rb  Rb10  1  0.978  0.347  0.698  1.0
  Rb  Rb11  1  0.022  0.653  0.302  1.0
  Lu  Lu12  1  0.789  0.210  0.750  1.0
  Lu  Lu13  1  0.210  0.789  0.250  1.0
  Lu  Lu14  1  0.500  0.000  0.500  1.0
  Lu  Lu15  1  0.000  0.500  1.000  1.0
  Cl  Cl16  1  0.621  0.724  0.577  1.0
  Cl  Cl17  1  0.379  0.276  0.423  1.0
  Cl  Cl18  1  0.276  0.379  0.923  1.0
  Cl  Cl19  1  0.724  0.621  0.077  1.0
  Cl  Cl20  1  0.506  0.377  0.681  1.0
  Cl  Cl21  1  0.494  0.623  0.319  1.0
  Cl  Cl22  1  0.623  0.494  0.819  1.0
  Cl  Cl23  1  0.377  0.506  0.181  1.0
  Cl  Cl24  1  0.785  0.857  0.533  1.0
  Cl  Cl25  1  0.215  0.143  0.467  1.0
  Cl  Cl26  1  0.143  0.215  0.967  1.0
  Cl  Cl27  1  0.857  0.785  0.033  1.0
  Cl  Cl28  1  0.907  0.974  0.199  1.0
  Cl  Cl29  1  0.093  0.026  0.801  1.0
  Cl  Cl30  1  0.026  0.093  0.301  1.0
  Cl  Cl31  1  0.974  0.907  0.699  1.0
  Cl  Cl32  1  0.727  0.160  0.936  1.0
  Cl  Cl33  1  0.273  0.840  0.064  1.0
  Cl  Cl34  1  0.840  0.273  0.564  1.0
  Cl  Cl35  1  0.160  0.727  0.436  1.0
  Cl  Cl36  1  0.367  0.133  0.687  1.0
  Cl  Cl37  1  0.633  0.867  0.313  1.0
  Cl  Cl38  1  0.867  0.633  0.813  1.0
  Cl  Cl39  1  0.133  0.367  0.187  1.0
[/CIF]
.