The structure described by RbBaPS4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(2), three equivalent S(3), and four equivalent S(1) atoms. P(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Ba(1), and one P(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Ba(1), and one P(1) atom to form distorted corner-sharing SRb2Ba2P trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_RbBaPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   10.214
_cell_length_c   11.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.465
_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  0.250  0.846  0.916  1.0
  Rb  Rb1  1  0.250  0.654  0.416  1.0
  Rb  Rb2  1  0.750  0.154  0.084  1.0
  Rb  Rb3  1  0.750  0.346  0.584  1.0
  Ba  Ba4  1  0.250  0.394  0.851  1.0
  Ba  Ba5  1  0.250  0.106  0.351  1.0
  Ba  Ba6  1  0.750  0.606  0.149  1.0
  Ba  Ba7  1  0.750  0.894  0.649  1.0
  P  P8  1  0.250  0.107  0.684  1.0
  P  P9  1  0.250  0.393  0.184  1.0
  P  P10  1  0.750  0.893  0.316  1.0
  P  P11  1  0.750  0.607  0.816  1.0
  S  S12  1  0.494  0.115  0.784  1.0
  S  S13  1  0.006  0.385  0.284  1.0
  S  S14  1  0.994  0.885  0.216  1.0
  S  S15  1  0.506  0.615  0.716  1.0
  S  S16  1  0.506  0.885  0.216  1.0
  S  S17  1  0.994  0.615  0.716  1.0
  S  S18  1  0.006  0.115  0.784  1.0
  S  S19  1  0.494  0.385  0.284  1.0
  S  S20  1  0.250  0.271  0.582  1.0
  S  S21  1  0.250  0.229  0.082  1.0
  S  S22  1  0.750  0.729  0.418  1.0
  S  S23  1  0.750  0.771  0.918  1.0
  S  S24  1  0.250  0.936  0.590  1.0
  S  S25  1  0.250  0.564  0.090  1.0
  S  S26  1  0.750  0.064  0.410  1.0
  S  S27  1  0.750  0.436  0.910  1.0
[/CIF]
.
The structure described by RbBaPS4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(2), three equivalent S(3), and four equivalent S(1) atoms. P(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Ba(1), and one P(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Ba(1), and one P(1) atom to form distorted corner-sharing SRb2Ba2P trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_RbBaPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   10.214
_cell_length_c   11.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.465
_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  0.250  0.846  0.916  1.0
  Rb  Rb1  1  0.250  0.654  0.416  1.0
  Rb  Rb2  1  0.750  0.154  0.084  1.0
  Rb  Rb3  1  0.750  0.346  0.584  1.0
  Ba  Ba4  1  0.250  0.394  0.851  1.0
  Ba  Ba5  1  0.250  0.106  0.351  1.0
  Ba  Ba6  1  0.750  0.606  0.149  1.0
  Ba  Ba7  1  0.750  0.894  0.649  1.0
  P  P8  1  0.250  0.107  0.684  1.0
  P  P9  1  0.250  0.393  0.184  1.0
  P  P10  1  0.750  0.893  0.316  1.0
  P  P11  1  0.750  0.607  0.816  1.0
  S  S12  1  0.494  0.115  0.784  1.0
  S  S13  1  0.006  0.385  0.284  1.0
  S  S14  1  0.994  0.885  0.216  1.0
  S  S15  1  0.506  0.615  0.716  1.0
  S  S16  1  0.506  0.885  0.216  1.0
  S  S17  1  0.994  0.615  0.716  1.0
  S  S18  1  0.006  0.115  0.784  1.0
  S  S19  1  0.494  0.385  0.284  1.0
  S  S20  1  0.250  0.271  0.582  1.0
  S  S21  1  0.250  0.229  0.082  1.0
  S  S22  1  0.750  0.729  0.418  1.0
  S  S23  1  0.750  0.771  0.918  1.0
  S  S24  1  0.250  0.936  0.590  1.0
  S  S25  1  0.250  0.564  0.090  1.0
  S  S26  1  0.750  0.064  0.410  1.0
  S  S27  1  0.750  0.436  0.910  1.0
[/CIF]
.