The compound described by Yb3Sb5O12 crystallizes in the cubic Im-3m space group. There are nine inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the third Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fourth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fifth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the sixth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the seventh Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the eighth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the ninth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are sixteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the third Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the seventh Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eighth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the ninth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the tenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eleventh Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the twelfth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the thirteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to two Yb(1,1); one Sb(1); and one Sb(2) atom to form a mixture of edge and corner-sharing OYb2Sb2 tetrahedra. is represented by the CIF file [CIF]
data_Yb3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   8.944
_cell_length_c   8.944
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   550.777
_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  0.750  0.500  0.250  1.0
  Yb  Yb1  1  0.500  0.250  0.750  1.0
  Yb  Yb2  1  0.250  0.750  0.500  1.0
  Yb  Yb3  1  0.750  0.250  0.500  1.0
  Yb  Yb4  1  0.500  0.750  0.250  1.0
  Yb  Yb5  1  0.250  0.500  0.750  1.0
  Sb  Sb6  1  0.747  0.000  0.747  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  Sb  Sb8  1  0.253  0.000  0.253  1.0
  Sb  Sb9  1  0.000  0.253  0.253  1.0
  Sb  Sb10  1  0.000  0.747  0.747  1.0
  Sb  Sb11  1  0.000  0.500  0.000  1.0
  Sb  Sb12  1  0.747  0.747  0.000  1.0
  Sb  Sb13  1  0.253  0.253  0.000  1.0
  Sb  Sb14  1  0.500  0.500  0.500  1.0
  Sb  Sb15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.467  0.467  0.251  1.0
  O  O17  1  0.251  0.467  0.467  1.0
  O  O18  1  0.533  0.533  0.749  1.0
  O  O19  1  0.467  0.000  0.216  1.0
  O  O20  1  0.000  0.216  0.467  1.0
  O  O21  1  0.000  0.467  0.216  1.0
  O  O22  1  0.467  0.216  0.000  1.0
  O  O23  1  0.000  0.784  0.533  1.0
  O  O24  1  0.251  0.784  0.784  1.0
  O  O25  1  0.533  0.784  0.000  1.0
  O  O26  1  0.216  0.216  0.749  1.0
  O  O27  1  0.533  0.000  0.784  1.0
  O  O28  1  0.467  0.251  0.467  1.0
  O  O29  1  0.000  0.533  0.784  1.0
  O  O30  1  0.533  0.749  0.533  1.0
  O  O31  1  0.784  0.251  0.784  1.0
  O  O32  1  0.216  0.749  0.216  1.0
  O  O33  1  0.784  0.533  0.000  1.0
  O  O34  1  0.749  0.533  0.533  1.0
  O  O35  1  0.216  0.467  0.000  1.0
  O  O36  1  0.216  0.000  0.467  1.0
  O  O37  1  0.784  0.784  0.251  1.0
  O  O38  1  0.749  0.216  0.216  1.0
  O  O39  1  0.784  0.000  0.533  1.0
[/CIF]
.
The compound described by Yb3Sb5O12 crystallizes in the cubic Im-3m space group. There are nine inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the third Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fourth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fifth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the sixth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the seventh Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the eighth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the ninth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are sixteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the third Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the seventh Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eighth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the ninth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the tenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eleventh Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the twelfth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the thirteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to two Yb(1,1); one Sb(1); and one Sb(2) atom to form a mixture of edge and corner-sharing OYb2Sb2 tetrahedra. is represented by the CIF file [CIF]
data_Yb3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   8.944
_cell_length_c   8.944
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   550.777
_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  0.750  0.500  0.250  1.0
  Yb  Yb1  1  0.500  0.250  0.750  1.0
  Yb  Yb2  1  0.250  0.750  0.500  1.0
  Yb  Yb3  1  0.750  0.250  0.500  1.0
  Yb  Yb4  1  0.500  0.750  0.250  1.0
  Yb  Yb5  1  0.250  0.500  0.750  1.0
  Sb  Sb6  1  0.747  0.000  0.747  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  Sb  Sb8  1  0.253  0.000  0.253  1.0
  Sb  Sb9  1  0.000  0.253  0.253  1.0
  Sb  Sb10  1  0.000  0.747  0.747  1.0
  Sb  Sb11  1  0.000  0.500  0.000  1.0
  Sb  Sb12  1  0.747  0.747  0.000  1.0
  Sb  Sb13  1  0.253  0.253  0.000  1.0
  Sb  Sb14  1  0.500  0.500  0.500  1.0
  Sb  Sb15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.467  0.467  0.251  1.0
  O  O17  1  0.251  0.467  0.467  1.0
  O  O18  1  0.533  0.533  0.749  1.0
  O  O19  1  0.467  0.000  0.216  1.0
  O  O20  1  0.000  0.216  0.467  1.0
  O  O21  1  0.000  0.467  0.216  1.0
  O  O22  1  0.467  0.216  0.000  1.0
  O  O23  1  0.000  0.784  0.533  1.0
  O  O24  1  0.251  0.784  0.784  1.0
  O  O25  1  0.533  0.784  0.000  1.0
  O  O26  1  0.216  0.216  0.749  1.0
  O  O27  1  0.533  0.000  0.784  1.0
  O  O28  1  0.467  0.251  0.467  1.0
  O  O29  1  0.000  0.533  0.784  1.0
  O  O30  1  0.533  0.749  0.533  1.0
  O  O31  1  0.784  0.251  0.784  1.0
  O  O32  1  0.216  0.749  0.216  1.0
  O  O33  1  0.784  0.533  0.000  1.0
  O  O34  1  0.749  0.533  0.533  1.0
  O  O35  1  0.216  0.467  0.000  1.0
  O  O36  1  0.216  0.000  0.467  1.0
  O  O37  1  0.784  0.784  0.251  1.0
  O  O38  1  0.749  0.216  0.216  1.0
  O  O39  1  0.784  0.000  0.533  1.0
[/CIF]
.