The material described by Rb4Au6S5 crystallizes in the hexagonal P-62c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 11-coordinate geometry to six equivalent Au(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Au(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and two equivalent Au(1) atoms. In the second S site, S(2) is bonded to three equivalent Rb(1) and three equivalent Au(1) atoms to form face-sharing SRb3Au3 octahedra. is represented by the CIF card [CIF]
data_Rb4Au6S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.035
_cell_length_b   10.035
_cell_length_c   10.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   875.499
_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  0.421  0.072  0.250  1.0
  Rb  Rb1  1  0.928  0.349  0.250  1.0
  Rb  Rb2  1  0.651  0.579  0.250  1.0
  Rb  Rb3  1  0.579  0.651  0.750  1.0
  Rb  Rb4  1  0.349  0.928  0.750  1.0
  Rb  Rb5  1  1.000  1.000  0.000  1.0
  Rb  Rb6  1  1.000  1.000  0.500  1.0
  Rb  Rb7  1  0.072  0.421  0.750  1.0
  Au  Au8  1  0.830  0.547  0.591  1.0
  Au  Au9  1  0.717  0.170  0.591  1.0
  Au  Au10  1  0.453  0.283  0.591  1.0
  Au  Au11  1  0.283  0.453  0.409  1.0
  Au  Au12  1  0.717  0.170  0.909  1.0
  Au  Au13  1  0.830  0.547  0.909  1.0
  Au  Au14  1  0.170  0.717  0.091  1.0
  Au  Au15  1  0.547  0.830  0.091  1.0
  Au  Au16  1  0.547  0.830  0.409  1.0
  Au  Au17  1  0.170  0.717  0.409  1.0
  Au  Au18  1  0.283  0.453  0.091  1.0
  Au  Au19  1  0.453  0.283  0.909  1.0
  S  S20  1  0.734  0.964  0.250  1.0
  S  S21  1  0.333  0.667  0.538  1.0
  S  S22  1  0.333  0.667  0.962  1.0
  S  S23  1  0.667  0.333  0.038  1.0
  S  S24  1  0.667  0.333  0.462  1.0
  S  S25  1  0.964  0.734  0.750  1.0
  S  S26  1  0.771  0.036  0.750  1.0
  S  S27  1  0.266  0.229  0.750  1.0
  S  S28  1  0.036  0.771  0.250  1.0
  S  S29  1  0.229  0.266  0.250  1.0
[/CIF]
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The material described by Rb4Au6S5 crystallizes in the hexagonal P-62c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 11-coordinate geometry to six equivalent Au(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Au(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and two equivalent Au(1) atoms. In the second S site, S(2) is bonded to three equivalent Rb(1) and three equivalent Au(1) atoms to form face-sharing SRb3Au3 octahedra. is represented by the CIF card [CIF]
data_Rb4Au6S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.035
_cell_length_b   10.035
_cell_length_c   10.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   875.499
_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  0.421  0.072  0.250  1.0
  Rb  Rb1  1  0.928  0.349  0.250  1.0
  Rb  Rb2  1  0.651  0.579  0.250  1.0
  Rb  Rb3  1  0.579  0.651  0.750  1.0
  Rb  Rb4  1  0.349  0.928  0.750  1.0
  Rb  Rb5  1  1.000  1.000  0.000  1.0
  Rb  Rb6  1  1.000  1.000  0.500  1.0
  Rb  Rb7  1  0.072  0.421  0.750  1.0
  Au  Au8  1  0.830  0.547  0.591  1.0
  Au  Au9  1  0.717  0.170  0.591  1.0
  Au  Au10  1  0.453  0.283  0.591  1.0
  Au  Au11  1  0.283  0.453  0.409  1.0
  Au  Au12  1  0.717  0.170  0.909  1.0
  Au  Au13  1  0.830  0.547  0.909  1.0
  Au  Au14  1  0.170  0.717  0.091  1.0
  Au  Au15  1  0.547  0.830  0.091  1.0
  Au  Au16  1  0.547  0.830  0.409  1.0
  Au  Au17  1  0.170  0.717  0.409  1.0
  Au  Au18  1  0.283  0.453  0.091  1.0
  Au  Au19  1  0.453  0.283  0.909  1.0
  S  S20  1  0.734  0.964  0.250  1.0
  S  S21  1  0.333  0.667  0.538  1.0
  S  S22  1  0.333  0.667  0.962  1.0
  S  S23  1  0.667  0.333  0.038  1.0
  S  S24  1  0.667  0.333  0.462  1.0
  S  S25  1  0.964  0.734  0.750  1.0
  S  S26  1  0.771  0.036  0.750  1.0
  S  S27  1  0.266  0.229  0.750  1.0
  S  S28  1  0.036  0.771  0.250  1.0
  S  S29  1  0.229  0.266  0.250  1.0
[/CIF]
.