The compound described by Rb2AgPS4 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(3), one S(4), two equivalent S(2), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Ag(1), one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Ag(1) is bonded in a 4-coordinate geometry to one Rb(2), one S(2), one S(3), and two equivalent S(4) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Rb(2), three equivalent Rb(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SRb4P square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Ag(1), and one P(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(2), one Ag(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Ag(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2AgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   7.036
_cell_length_c   11.147
_cell_angle_alpha   95.620
_cell_angle_beta   106.988
_cell_angle_gamma   111.134
_symmetry_Int_Tables_number   1
_cell_volume   458.112
_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  0.849  0.729  0.100  1.0
  Rb  Rb1  1  0.151  0.271  0.900  1.0
  Rb  Rb2  1  0.441  0.978  0.688  1.0
  Rb  Rb3  1  0.559  0.022  0.312  1.0
  Ag  Ag4  1  0.779  0.587  0.417  1.0
  Ag  Ag5  1  0.221  0.413  0.583  1.0
  P  P6  1  0.867  0.643  0.732  1.0
  P  P7  1  0.133  0.357  0.268  1.0
  S  S8  1  0.147  0.768  0.897  1.0
  S  S9  1  0.853  0.232  0.103  1.0
  S  S10  1  0.573  0.560  0.780  1.0
  S  S11  1  0.427  0.440  0.220  1.0
  S  S12  1  0.875  0.861  0.621  1.0
  S  S13  1  0.125  0.139  0.379  1.0
  S  S14  1  0.851  0.375  0.626  1.0
  S  S15  1  0.149  0.625  0.374  1.0
[/CIF]
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The compound described by Rb2AgPS4 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(3), one S(4), two equivalent S(2), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Ag(1), one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Ag(1) is bonded in a 4-coordinate geometry to one Rb(2), one S(2), one S(3), and two equivalent S(4) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Rb(2), three equivalent Rb(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SRb4P square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Ag(1), and one P(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(2), one Ag(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Ag(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2AgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   7.036
_cell_length_c   11.147
_cell_angle_alpha   95.620
_cell_angle_beta   106.988
_cell_angle_gamma   111.134
_symmetry_Int_Tables_number   1
_cell_volume   458.112
_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  0.849  0.729  0.100  1.0
  Rb  Rb1  1  0.151  0.271  0.900  1.0
  Rb  Rb2  1  0.441  0.978  0.688  1.0
  Rb  Rb3  1  0.559  0.022  0.312  1.0
  Ag  Ag4  1  0.779  0.587  0.417  1.0
  Ag  Ag5  1  0.221  0.413  0.583  1.0
  P  P6  1  0.867  0.643  0.732  1.0
  P  P7  1  0.133  0.357  0.268  1.0
  S  S8  1  0.147  0.768  0.897  1.0
  S  S9  1  0.853  0.232  0.103  1.0
  S  S10  1  0.573  0.560  0.780  1.0
  S  S11  1  0.427  0.440  0.220  1.0
  S  S12  1  0.875  0.861  0.621  1.0
  S  S13  1  0.125  0.139  0.379  1.0
  S  S14  1  0.851  0.375  0.626  1.0
  S  S15  1  0.149  0.625  0.374  1.0
[/CIF]
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