The material structure described by Rb3TaS4 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 S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. Ta(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Rb(2), four equivalent Rb(1), and one Ta(1) atom to form distorted edge-sharing SRb5Ta octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Rb(2), four equivalent Rb(1), and one Ta(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Rb3TaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.648
_cell_length_b   9.740
_cell_length_c   11.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1045.661
_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  0.053  0.289  0.543  1.0
  Rb  Rb1  1  0.859  0.920  0.750  1.0
  Rb  Rb2  1  0.141  0.080  0.250  1.0
  Rb  Rb3  1  0.641  0.420  0.250  1.0
  Rb  Rb4  1  0.947  0.711  0.457  1.0
  Rb  Rb5  1  0.447  0.789  0.043  1.0
  Rb  Rb6  1  0.553  0.211  0.543  1.0
  Rb  Rb7  1  0.053  0.289  0.957  1.0
  Rb  Rb8  1  0.947  0.711  0.043  1.0
  Rb  Rb9  1  0.553  0.211  0.957  1.0
  Rb  Rb10  1  0.447  0.789  0.457  1.0
  Rb  Rb11  1  0.359  0.580  0.750  1.0
  Ta  Ta12  1  0.282  0.014  0.750  1.0
  Ta  Ta13  1  0.782  0.486  0.750  1.0
  Ta  Ta14  1  0.218  0.514  0.250  1.0
  Ta  Ta15  1  0.718  0.986  0.250  1.0
  S  S16  1  0.303  0.247  0.750  1.0
  S  S17  1  0.803  0.253  0.750  1.0
  S  S18  1  0.197  0.747  0.250  1.0
  S  S19  1  0.697  0.753  0.250  1.0
  S  S20  1  0.999  0.580  0.750  1.0
  S  S21  1  0.499  0.920  0.750  1.0
  S  S22  1  0.501  0.080  0.250  1.0
  S  S23  1  0.001  0.420  0.250  1.0
  S  S24  1  0.833  0.051  0.081  1.0
  S  S25  1  0.333  0.449  0.419  1.0
  S  S26  1  0.667  0.551  0.919  1.0
  S  S27  1  0.167  0.949  0.581  1.0
  S  S28  1  0.167  0.949  0.919  1.0
  S  S29  1  0.833  0.051  0.419  1.0
  S  S30  1  0.333  0.449  0.081  1.0
  S  S31  1  0.667  0.551  0.581  1.0
[/CIF]
.
The material structure described by Rb3TaS4 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 S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. Ta(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Rb(2), four equivalent Rb(1), and one Ta(1) atom to form distorted edge-sharing SRb5Ta octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Rb(2), four equivalent Rb(1), and one Ta(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Rb3TaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.648
_cell_length_b   9.740
_cell_length_c   11.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1045.661
_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  0.053  0.289  0.543  1.0
  Rb  Rb1  1  0.859  0.920  0.750  1.0
  Rb  Rb2  1  0.141  0.080  0.250  1.0
  Rb  Rb3  1  0.641  0.420  0.250  1.0
  Rb  Rb4  1  0.947  0.711  0.457  1.0
  Rb  Rb5  1  0.447  0.789  0.043  1.0
  Rb  Rb6  1  0.553  0.211  0.543  1.0
  Rb  Rb7  1  0.053  0.289  0.957  1.0
  Rb  Rb8  1  0.947  0.711  0.043  1.0
  Rb  Rb9  1  0.553  0.211  0.957  1.0
  Rb  Rb10  1  0.447  0.789  0.457  1.0
  Rb  Rb11  1  0.359  0.580  0.750  1.0
  Ta  Ta12  1  0.282  0.014  0.750  1.0
  Ta  Ta13  1  0.782  0.486  0.750  1.0
  Ta  Ta14  1  0.218  0.514  0.250  1.0
  Ta  Ta15  1  0.718  0.986  0.250  1.0
  S  S16  1  0.303  0.247  0.750  1.0
  S  S17  1  0.803  0.253  0.750  1.0
  S  S18  1  0.197  0.747  0.250  1.0
  S  S19  1  0.697  0.753  0.250  1.0
  S  S20  1  0.999  0.580  0.750  1.0
  S  S21  1  0.499  0.920  0.750  1.0
  S  S22  1  0.501  0.080  0.250  1.0
  S  S23  1  0.001  0.420  0.250  1.0
  S  S24  1  0.833  0.051  0.081  1.0
  S  S25  1  0.333  0.449  0.419  1.0
  S  S26  1  0.667  0.551  0.919  1.0
  S  S27  1  0.167  0.949  0.581  1.0
  S  S28  1  0.167  0.949  0.919  1.0
  S  S29  1  0.833  0.051  0.419  1.0
  S  S30  1  0.333  0.449  0.081  1.0
  S  S31  1  0.667  0.551  0.581  1.0
[/CIF]
.