The material described by Yb5(SiO4)3S crystallizes in the hexagonal P6_3/m space group. The structure consists of two hydrogen sulfide atoms inside a Yb5(SiO4)3 framework. In the Yb5(SiO4)3 framework, there are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted YbO6 pentagonal pyramids that share corners with four equivalent Yb(1)O6 pentagonal pyramids, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Yb(1)O6 pentagonal pyramids and  an edgeedge with one Yb(1)O6 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Yb(1), two equivalent Yb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OYb3Si tetrahedra. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Si(1) atom. In the third O site, O(2) is bonded to one Yb(1), two equivalent Yb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OYb3Si tetrahedra. is represented by the CIF file [CIF]
data_Yb5Si3SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   7.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.869
_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
  Yb  Yb0  1  0.722  0.008  0.750  1.0
  Yb  Yb1  1  0.715  0.722  0.250  1.0
  Yb  Yb2  1  0.008  0.285  0.250  1.0
  Yb  Yb3  1  0.992  0.715  0.750  1.0
  Yb  Yb4  1  0.285  0.278  0.750  1.0
  Yb  Yb5  1  0.278  0.992  0.250  1.0
  Yb  Yb6  1  0.333  0.667  0.498  1.0
  Yb  Yb7  1  0.667  0.333  0.998  1.0
  Yb  Yb8  1  0.667  0.333  0.502  1.0
  Yb  Yb9  1  0.333  0.667  0.002  1.0
  Si  Si10  1  0.633  0.652  0.750  1.0
  Si  Si11  1  0.981  0.633  0.250  1.0
  Si  Si12  1  0.652  0.019  0.250  1.0
  Si  Si13  1  0.348  0.981  0.750  1.0
  Si  Si14  1  0.019  0.367  0.750  1.0
  Si  Si15  1  0.367  0.348  0.250  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.304  0.219  0.434  1.0
  O  O19  1  0.085  0.304  0.934  1.0
  O  O20  1  0.219  0.915  0.934  1.0
  O  O21  1  0.781  0.085  0.434  1.0
  O  O22  1  0.915  0.696  0.434  1.0
  O  O23  1  0.696  0.781  0.934  1.0
  O  O24  1  0.696  0.781  0.566  1.0
  O  O25  1  0.915  0.696  0.066  1.0
  O  O26  1  0.781  0.085  0.066  1.0
  O  O27  1  0.219  0.915  0.566  1.0
  O  O28  1  0.085  0.304  0.566  1.0
  O  O29  1  0.304  0.219  0.066  1.0
  O  O30  1  0.430  0.556  0.750  1.0
  O  O31  1  0.874  0.430  0.250  1.0
  O  O32  1  0.556  0.126  0.250  1.0
  O  O33  1  0.444  0.874  0.750  1.0
  O  O34  1  0.126  0.570  0.750  1.0
  O  O35  1  0.570  0.444  0.250  1.0
  O  O36  1  0.300  0.478  0.250  1.0
  O  O37  1  0.822  0.300  0.750  1.0
  O  O38  1  0.478  0.178  0.750  1.0
  O  O39  1  0.522  0.822  0.250  1.0
  O  O40  1  0.178  0.700  0.250  1.0
  O  O41  1  0.700  0.522  0.750  1.0
[/CIF]
.
The material described by Yb5(SiO4)3S crystallizes in the hexagonal P6_3/m space group. The structure consists of two hydrogen sulfide atoms inside a Yb5(SiO4)3 framework. In the Yb5(SiO4)3 framework, there are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted YbO6 pentagonal pyramids that share corners with four equivalent Yb(1)O6 pentagonal pyramids, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Yb(1)O6 pentagonal pyramids and  an edgeedge with one Yb(1)O6 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Yb(1), two equivalent Yb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OYb3Si tetrahedra. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Si(1) atom. In the third O site, O(2) is bonded to one Yb(1), two equivalent Yb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OYb3Si tetrahedra. is represented by the CIF file [CIF]
data_Yb5Si3SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   7.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.869
_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
  Yb  Yb0  1  0.722  0.008  0.750  1.0
  Yb  Yb1  1  0.715  0.722  0.250  1.0
  Yb  Yb2  1  0.008  0.285  0.250  1.0
  Yb  Yb3  1  0.992  0.715  0.750  1.0
  Yb  Yb4  1  0.285  0.278  0.750  1.0
  Yb  Yb5  1  0.278  0.992  0.250  1.0
  Yb  Yb6  1  0.333  0.667  0.498  1.0
  Yb  Yb7  1  0.667  0.333  0.998  1.0
  Yb  Yb8  1  0.667  0.333  0.502  1.0
  Yb  Yb9  1  0.333  0.667  0.002  1.0
  Si  Si10  1  0.633  0.652  0.750  1.0
  Si  Si11  1  0.981  0.633  0.250  1.0
  Si  Si12  1  0.652  0.019  0.250  1.0
  Si  Si13  1  0.348  0.981  0.750  1.0
  Si  Si14  1  0.019  0.367  0.750  1.0
  Si  Si15  1  0.367  0.348  0.250  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.304  0.219  0.434  1.0
  O  O19  1  0.085  0.304  0.934  1.0
  O  O20  1  0.219  0.915  0.934  1.0
  O  O21  1  0.781  0.085  0.434  1.0
  O  O22  1  0.915  0.696  0.434  1.0
  O  O23  1  0.696  0.781  0.934  1.0
  O  O24  1  0.696  0.781  0.566  1.0
  O  O25  1  0.915  0.696  0.066  1.0
  O  O26  1  0.781  0.085  0.066  1.0
  O  O27  1  0.219  0.915  0.566  1.0
  O  O28  1  0.085  0.304  0.566  1.0
  O  O29  1  0.304  0.219  0.066  1.0
  O  O30  1  0.430  0.556  0.750  1.0
  O  O31  1  0.874  0.430  0.250  1.0
  O  O32  1  0.556  0.126  0.250  1.0
  O  O33  1  0.444  0.874  0.750  1.0
  O  O34  1  0.126  0.570  0.750  1.0
  O  O35  1  0.570  0.444  0.250  1.0
  O  O36  1  0.300  0.478  0.250  1.0
  O  O37  1  0.822  0.300  0.750  1.0
  O  O38  1  0.478  0.178  0.750  1.0
  O  O39  1  0.522  0.822  0.250  1.0
  O  O40  1  0.178  0.700  0.250  1.0
  O  O41  1  0.700  0.522  0.750  1.0
[/CIF]
.