The compound described by Yb2S3 crystallizes in the cubic Ia-3 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing YbS6 octahedra. In the second Yb site, Yb(2) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form a mixture of corner and edge-sharing SYb4 trigonal pyramids. is represented by the CIF file [CIF]
data_Yb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.117
_cell_length_b   11.117
_cell_length_c   11.117
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1057.571
_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
  Yb  Yb0  1  0.500  0.000  0.500  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.500  0.500  1.0
  Yb  Yb3  1  0.000  0.000  0.000  1.0
  Yb  Yb4  1  0.250  0.548  0.298  1.0
  Yb  Yb5  1  0.750  0.952  0.202  1.0
  Yb  Yb6  1  0.548  0.298  0.250  1.0
  Yb  Yb7  1  0.952  0.202  0.750  1.0
  Yb  Yb8  1  0.298  0.250  0.548  1.0
  Yb  Yb9  1  0.202  0.750  0.952  1.0
  Yb  Yb10  1  0.750  0.452  0.702  1.0
  Yb  Yb11  1  0.250  0.048  0.798  1.0
  Yb  Yb12  1  0.452  0.702  0.750  1.0
  Yb  Yb13  1  0.048  0.798  0.250  1.0
  Yb  Yb14  1  0.702  0.750  0.452  1.0
  Yb  Yb15  1  0.798  0.250  0.048  1.0
  S  S16  1  0.280  0.763  0.218  1.0
  S  S17  1  0.455  0.737  0.017  1.0
  S  S18  1  0.220  0.438  0.483  1.0
  S  S19  1  0.045  0.062  0.282  1.0
  S  S20  1  0.763  0.218  0.280  1.0
  S  S21  1  0.737  0.017  0.455  1.0
  S  S22  1  0.438  0.483  0.220  1.0
  S  S23  1  0.062  0.282  0.045  1.0
  S  S24  1  0.218  0.280  0.763  1.0
  S  S25  1  0.017  0.455  0.737  1.0
  S  S26  1  0.483  0.220  0.438  1.0
  S  S27  1  0.282  0.045  0.062  1.0
  S  S28  1  0.720  0.237  0.782  1.0
  S  S29  1  0.545  0.263  0.983  1.0
  S  S30  1  0.780  0.562  0.517  1.0
  S  S31  1  0.955  0.938  0.718  1.0
  S  S32  1  0.237  0.782  0.720  1.0
  S  S33  1  0.263  0.983  0.545  1.0
  S  S34  1  0.562  0.517  0.780  1.0
  S  S35  1  0.938  0.718  0.955  1.0
  S  S36  1  0.782  0.720  0.237  1.0
  S  S37  1  0.983  0.545  0.263  1.0
  S  S38  1  0.517  0.780  0.562  1.0
  S  S39  1  0.718  0.955  0.938  1.0
[/CIF]
.
The compound described by Yb2S3 crystallizes in the cubic Ia-3 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing YbS6 octahedra. In the second Yb site, Yb(2) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form a mixture of corner and edge-sharing SYb4 trigonal pyramids. is represented by the CIF file [CIF]
data_Yb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.117
_cell_length_b   11.117
_cell_length_c   11.117
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1057.571
_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
  Yb  Yb0  1  0.500  0.000  0.500  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.500  0.500  1.0
  Yb  Yb3  1  0.000  0.000  0.000  1.0
  Yb  Yb4  1  0.250  0.548  0.298  1.0
  Yb  Yb5  1  0.750  0.952  0.202  1.0
  Yb  Yb6  1  0.548  0.298  0.250  1.0
  Yb  Yb7  1  0.952  0.202  0.750  1.0
  Yb  Yb8  1  0.298  0.250  0.548  1.0
  Yb  Yb9  1  0.202  0.750  0.952  1.0
  Yb  Yb10  1  0.750  0.452  0.702  1.0
  Yb  Yb11  1  0.250  0.048  0.798  1.0
  Yb  Yb12  1  0.452  0.702  0.750  1.0
  Yb  Yb13  1  0.048  0.798  0.250  1.0
  Yb  Yb14  1  0.702  0.750  0.452  1.0
  Yb  Yb15  1  0.798  0.250  0.048  1.0
  S  S16  1  0.280  0.763  0.218  1.0
  S  S17  1  0.455  0.737  0.017  1.0
  S  S18  1  0.220  0.438  0.483  1.0
  S  S19  1  0.045  0.062  0.282  1.0
  S  S20  1  0.763  0.218  0.280  1.0
  S  S21  1  0.737  0.017  0.455  1.0
  S  S22  1  0.438  0.483  0.220  1.0
  S  S23  1  0.062  0.282  0.045  1.0
  S  S24  1  0.218  0.280  0.763  1.0
  S  S25  1  0.017  0.455  0.737  1.0
  S  S26  1  0.483  0.220  0.438  1.0
  S  S27  1  0.282  0.045  0.062  1.0
  S  S28  1  0.720  0.237  0.782  1.0
  S  S29  1  0.545  0.263  0.983  1.0
  S  S30  1  0.780  0.562  0.517  1.0
  S  S31  1  0.955  0.938  0.718  1.0
  S  S32  1  0.237  0.782  0.720  1.0
  S  S33  1  0.263  0.983  0.545  1.0
  S  S34  1  0.562  0.517  0.780  1.0
  S  S35  1  0.938  0.718  0.955  1.0
  S  S36  1  0.782  0.720  0.237  1.0
  S  S37  1  0.983  0.545  0.263  1.0
  S  S38  1  0.517  0.780  0.562  1.0
  S  S39  1  0.718  0.955  0.938  1.0
[/CIF]
.