The structure described by ErPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Er site, Er(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted ErS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Er(2)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Er(1), one Er(2), and one P(1) atom. is represented by the CIF card [CIF]
data_ErPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.110
_cell_length_b   12.110
_cell_length_c   12.110
_cell_angle_alpha   127.796
_cell_angle_beta   127.796
_cell_angle_gamma   76.955
_symmetry_Int_Tables_number   1
_cell_volume   1076.429
_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
  Er  Er0  1  0.000  1.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.250  0.750  0.500  1.0
  Er  Er3  1  0.500  0.500  1.000  1.0
  Er  Er4  1  0.750  0.750  1.000  1.0
  Er  Er5  1  0.500  1.000  0.500  1.0
  Er  Er6  1  1.000  0.500  0.500  1.0
  Er  Er7  1  0.250  0.250  0.000  1.0
  P  P8  1  0.125  0.413  0.788  1.0
  P  P9  1  0.125  0.913  0.288  1.0
  P  P10  1  0.663  0.875  0.288  1.0
  P  P11  1  0.587  0.375  0.712  1.0
  P  P12  1  0.625  0.837  0.712  1.0
  P  P13  1  0.625  0.337  0.212  1.0
  P  P14  1  0.087  0.375  0.212  1.0
  P  P15  1  0.163  0.875  0.788  1.0
  S  S16  1  0.485  0.208  0.450  1.0
  S  S17  1  0.758  0.034  0.550  1.0
  S  S18  1  0.784  0.735  0.777  1.0
  S  S19  1  0.958  0.008  0.223  1.0
  S  S20  1  0.492  0.542  0.777  1.0
  S  S21  1  0.765  0.716  0.223  1.0
  S  S22  1  0.292  0.015  0.550  1.0
  S  S23  1  0.466  0.742  0.450  1.0
  S  S24  1  0.280  0.470  0.321  1.0
  S  S25  1  0.220  0.399  0.690  1.0
  S  S26  1  0.710  0.530  0.310  1.0
  S  S27  1  0.970  0.790  0.690  1.0
  S  S28  1  0.101  0.280  0.310  1.0
  S  S29  1  0.540  0.351  0.321  1.0
  S  S30  1  0.030  0.220  0.679  1.0
  S  S31  1  0.149  0.960  0.679  1.0
  S  S32  1  0.470  0.780  0.179  1.0
  S  S33  1  0.530  0.851  0.810  1.0
  S  S34  1  0.040  0.720  0.190  1.0
  S  S35  1  0.780  0.460  0.810  1.0
  S  S36  1  0.649  0.970  0.190  1.0
  S  S37  1  0.210  0.899  0.179  1.0
  S  S38  1  0.720  0.030  0.821  1.0
  S  S39  1  0.601  0.290  0.821  1.0
  S  S40  1  0.992  0.216  0.950  1.0
  S  S41  1  0.966  0.515  0.723  1.0
  S  S42  1  0.792  0.242  0.277  1.0
  S  S43  1  0.258  0.708  0.723  1.0
  S  S44  1  0.985  0.534  0.277  1.0
  S  S45  1  0.458  0.235  0.950  1.0
  S  S46  1  0.284  0.508  0.050  1.0
  S  S47  1  0.265  0.042  0.050  1.0
[/CIF]
.
The structure described by ErPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Er site, Er(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted ErS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Er(2)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Er(1), one Er(2), and one P(1) atom. is represented by the CIF card [CIF]
data_ErPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.110
_cell_length_b   12.110
_cell_length_c   12.110
_cell_angle_alpha   127.796
_cell_angle_beta   127.796
_cell_angle_gamma   76.955
_symmetry_Int_Tables_number   1
_cell_volume   1076.429
_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
  Er  Er0  1  0.000  1.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.250  0.750  0.500  1.0
  Er  Er3  1  0.500  0.500  1.000  1.0
  Er  Er4  1  0.750  0.750  1.000  1.0
  Er  Er5  1  0.500  1.000  0.500  1.0
  Er  Er6  1  1.000  0.500  0.500  1.0
  Er  Er7  1  0.250  0.250  0.000  1.0
  P  P8  1  0.125  0.413  0.788  1.0
  P  P9  1  0.125  0.913  0.288  1.0
  P  P10  1  0.663  0.875  0.288  1.0
  P  P11  1  0.587  0.375  0.712  1.0
  P  P12  1  0.625  0.837  0.712  1.0
  P  P13  1  0.625  0.337  0.212  1.0
  P  P14  1  0.087  0.375  0.212  1.0
  P  P15  1  0.163  0.875  0.788  1.0
  S  S16  1  0.485  0.208  0.450  1.0
  S  S17  1  0.758  0.034  0.550  1.0
  S  S18  1  0.784  0.735  0.777  1.0
  S  S19  1  0.958  0.008  0.223  1.0
  S  S20  1  0.492  0.542  0.777  1.0
  S  S21  1  0.765  0.716  0.223  1.0
  S  S22  1  0.292  0.015  0.550  1.0
  S  S23  1  0.466  0.742  0.450  1.0
  S  S24  1  0.280  0.470  0.321  1.0
  S  S25  1  0.220  0.399  0.690  1.0
  S  S26  1  0.710  0.530  0.310  1.0
  S  S27  1  0.970  0.790  0.690  1.0
  S  S28  1  0.101  0.280  0.310  1.0
  S  S29  1  0.540  0.351  0.321  1.0
  S  S30  1  0.030  0.220  0.679  1.0
  S  S31  1  0.149  0.960  0.679  1.0
  S  S32  1  0.470  0.780  0.179  1.0
  S  S33  1  0.530  0.851  0.810  1.0
  S  S34  1  0.040  0.720  0.190  1.0
  S  S35  1  0.780  0.460  0.810  1.0
  S  S36  1  0.649  0.970  0.190  1.0
  S  S37  1  0.210  0.899  0.179  1.0
  S  S38  1  0.720  0.030  0.821  1.0
  S  S39  1  0.601  0.290  0.821  1.0
  S  S40  1  0.992  0.216  0.950  1.0
  S  S41  1  0.966  0.515  0.723  1.0
  S  S42  1  0.792  0.242  0.277  1.0
  S  S43  1  0.258  0.708  0.723  1.0
  S  S44  1  0.985  0.534  0.277  1.0
  S  S45  1  0.458  0.235  0.950  1.0
  S  S46  1  0.284  0.508  0.050  1.0
  S  S47  1  0.265  0.042  0.050  1.0
[/CIF]
.