The compound described by TbPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a distorted hexagonal planar geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Tb(1) and three equivalent Tb(2) atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids. is represented by the CIF card [CIF]
data_TbPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.386
_cell_length_c   16.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.693
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.250  0.484  0.362  1.0
  Tb  Tb1  1  0.250  0.984  0.138  1.0
  Tb  Tb2  1  0.750  0.516  0.638  1.0
  Tb  Tb3  1  0.750  0.016  0.862  1.0
  Tb  Tb4  1  0.250  0.015  0.647  1.0
  Tb  Tb5  1  0.250  0.515  0.853  1.0
  Tb  Tb6  1  0.750  0.985  0.353  1.0
  Tb  Tb7  1  0.750  0.485  0.147  1.0
  P  P8  1  0.040  0.297  0.997  1.0
  P  P9  1  0.460  0.797  0.503  1.0
  P  P10  1  0.540  0.703  0.003  1.0
  P  P11  1  0.960  0.203  0.497  1.0
  P  P12  1  0.960  0.703  0.003  1.0
  P  P13  1  0.540  0.203  0.497  1.0
  P  P14  1  0.460  0.297  0.997  1.0
  P  P15  1  0.040  0.797  0.503  1.0
  S  S16  1  0.250  0.485  0.189  1.0
  S  S17  1  0.250  0.985  0.311  1.0
  S  S18  1  0.750  0.515  0.811  1.0
  S  S19  1  0.750  0.015  0.689  1.0
  S  S20  1  0.250  0.011  0.816  1.0
  S  S21  1  0.250  0.511  0.684  1.0
  S  S22  1  0.750  0.989  0.184  1.0
  S  S23  1  0.750  0.489  0.316  1.0
[/CIF]
.
The compound described by TbPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a distorted hexagonal planar geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Tb(1) and three equivalent Tb(2) atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids. is represented by the CIF card [CIF]
data_TbPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.386
_cell_length_c   16.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.693
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.250  0.484  0.362  1.0
  Tb  Tb1  1  0.250  0.984  0.138  1.0
  Tb  Tb2  1  0.750  0.516  0.638  1.0
  Tb  Tb3  1  0.750  0.016  0.862  1.0
  Tb  Tb4  1  0.250  0.015  0.647  1.0
  Tb  Tb5  1  0.250  0.515  0.853  1.0
  Tb  Tb6  1  0.750  0.985  0.353  1.0
  Tb  Tb7  1  0.750  0.485  0.147  1.0
  P  P8  1  0.040  0.297  0.997  1.0
  P  P9  1  0.460  0.797  0.503  1.0
  P  P10  1  0.540  0.703  0.003  1.0
  P  P11  1  0.960  0.203  0.497  1.0
  P  P12  1  0.960  0.703  0.003  1.0
  P  P13  1  0.540  0.203  0.497  1.0
  P  P14  1  0.460  0.297  0.997  1.0
  P  P15  1  0.040  0.797  0.503  1.0
  S  S16  1  0.250  0.485  0.189  1.0
  S  S17  1  0.250  0.985  0.311  1.0
  S  S18  1  0.750  0.515  0.811  1.0
  S  S19  1  0.750  0.015  0.689  1.0
  S  S20  1  0.250  0.011  0.816  1.0
  S  S21  1  0.250  0.511  0.684  1.0
  S  S22  1  0.750  0.989  0.184  1.0
  S  S23  1  0.750  0.489  0.316  1.0
[/CIF]
.