The structure described by Cs3Yb(SO4)3 crystallizes in the trigonal R3c space group. Cs(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), three equivalent O(3), and four equivalent O(1) atoms. Yb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YbO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Yb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Yb(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Yb(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.065
_cell_length_b   10.065
_cell_length_c   10.065
_cell_angle_alpha   109.942
_cell_angle_beta   109.942
_cell_angle_gamma   109.942
_symmetry_Int_Tables_number   1
_cell_volume   770.914
_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
  Cs  Cs0  1  0.179  0.662  0.797  1.0
  Cs  Cs1  1  0.162  0.679  0.297  1.0
  Cs  Cs2  1  0.797  0.179  0.662  1.0
  Cs  Cs3  1  0.662  0.797  0.179  1.0
  Cs  Cs4  1  0.297  0.162  0.679  1.0
  Cs  Cs5  1  0.679  0.297  0.162  1.0
  Yb  Yb6  1  0.491  0.491  0.491  1.0
  Yb  Yb7  1  0.991  0.991  0.991  1.0
  S  S8  1  0.776  0.572  0.895  1.0
  S  S9  1  0.276  0.395  0.072  1.0
  S  S10  1  0.072  0.276  0.395  1.0
  S  S11  1  0.572  0.895  0.776  1.0
  S  S12  1  0.395  0.072  0.276  1.0
  S  S13  1  0.895  0.776  0.572  1.0
  O  O14  1  0.502  0.988  0.721  1.0
  O  O15  1  0.002  0.221  0.488  1.0
  O  O16  1  0.981  0.840  0.752  1.0
  O  O17  1  0.721  0.502  0.988  1.0
  O  O18  1  0.488  0.002  0.221  1.0
  O  O19  1  0.408  0.386  0.041  1.0
  O  O20  1  0.224  0.988  0.133  1.0
  O  O21  1  0.908  0.541  0.886  1.0
  O  O22  1  0.633  0.488  0.724  1.0
  O  O23  1  0.988  0.133  0.224  1.0
  O  O24  1  0.252  0.340  0.481  1.0
  O  O25  1  0.541  0.886  0.908  1.0
  O  O26  1  0.488  0.724  0.633  1.0
  O  O27  1  0.988  0.721  0.502  1.0
  O  O28  1  0.221  0.488  0.002  1.0
  O  O29  1  0.886  0.908  0.541  1.0
  O  O30  1  0.041  0.408  0.386  1.0
  O  O31  1  0.133  0.224  0.988  1.0
  O  O32  1  0.481  0.252  0.340  1.0
  O  O33  1  0.340  0.481  0.252  1.0
  O  O34  1  0.724  0.633  0.488  1.0
  O  O35  1  0.752  0.981  0.840  1.0
  O  O36  1  0.840  0.752  0.981  1.0
  O  O37  1  0.386  0.041  0.408  1.0
[/CIF]
.
The structure described by Cs3Yb(SO4)3 crystallizes in the trigonal R3c space group. Cs(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), three equivalent O(3), and four equivalent O(1) atoms. Yb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YbO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Yb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Yb(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Yb(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.065
_cell_length_b   10.065
_cell_length_c   10.065
_cell_angle_alpha   109.942
_cell_angle_beta   109.942
_cell_angle_gamma   109.942
_symmetry_Int_Tables_number   1
_cell_volume   770.914
_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
  Cs  Cs0  1  0.179  0.662  0.797  1.0
  Cs  Cs1  1  0.162  0.679  0.297  1.0
  Cs  Cs2  1  0.797  0.179  0.662  1.0
  Cs  Cs3  1  0.662  0.797  0.179  1.0
  Cs  Cs4  1  0.297  0.162  0.679  1.0
  Cs  Cs5  1  0.679  0.297  0.162  1.0
  Yb  Yb6  1  0.491  0.491  0.491  1.0
  Yb  Yb7  1  0.991  0.991  0.991  1.0
  S  S8  1  0.776  0.572  0.895  1.0
  S  S9  1  0.276  0.395  0.072  1.0
  S  S10  1  0.072  0.276  0.395  1.0
  S  S11  1  0.572  0.895  0.776  1.0
  S  S12  1  0.395  0.072  0.276  1.0
  S  S13  1  0.895  0.776  0.572  1.0
  O  O14  1  0.502  0.988  0.721  1.0
  O  O15  1  0.002  0.221  0.488  1.0
  O  O16  1  0.981  0.840  0.752  1.0
  O  O17  1  0.721  0.502  0.988  1.0
  O  O18  1  0.488  0.002  0.221  1.0
  O  O19  1  0.408  0.386  0.041  1.0
  O  O20  1  0.224  0.988  0.133  1.0
  O  O21  1  0.908  0.541  0.886  1.0
  O  O22  1  0.633  0.488  0.724  1.0
  O  O23  1  0.988  0.133  0.224  1.0
  O  O24  1  0.252  0.340  0.481  1.0
  O  O25  1  0.541  0.886  0.908  1.0
  O  O26  1  0.488  0.724  0.633  1.0
  O  O27  1  0.988  0.721  0.502  1.0
  O  O28  1  0.221  0.488  0.002  1.0
  O  O29  1  0.886  0.908  0.541  1.0
  O  O30  1  0.041  0.408  0.386  1.0
  O  O31  1  0.133  0.224  0.988  1.0
  O  O32  1  0.481  0.252  0.340  1.0
  O  O33  1  0.340  0.481  0.252  1.0
  O  O34  1  0.724  0.633  0.488  1.0
  O  O35  1  0.752  0.981  0.840  1.0
  O  O36  1  0.840  0.752  0.981  1.0
  O  O37  1  0.386  0.041  0.408  1.0
[/CIF]
.