The compound described by Y3Sb5O12 crystallizes in the cubic I-43m space group. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Y(1), one Sb(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Y3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.322
_cell_length_b   9.322
_cell_length_c   9.322
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   623.575
_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
  Y  Y0  1  0.250  0.750  0.500  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.750  0.500  0.250  1.0
  Y  Y3  1  0.250  0.500  0.750  1.0
  Y  Y4  1  0.500  0.250  0.750  1.0
  Y  Y5  1  0.500  0.750  0.250  1.0
  Sb  Sb6  1  0.516  0.516  0.516  1.0
  Sb  Sb7  1  0.484  0.000  0.000  1.0
  Sb  Sb8  1  0.000  0.484  0.000  1.0
  Sb  Sb9  1  1.000  1.000  0.484  1.0
  Sb  Sb10  1  0.719  0.719  0.000  1.0
  Sb  Sb11  1  0.281  0.281  1.000  1.0
  Sb  Sb12  1  0.719  0.000  0.719  1.0
  Sb  Sb13  1  0.281  0.000  0.281  1.0
  Sb  Sb14  1  1.000  0.719  0.719  1.0
  Sb  Sb15  1  1.000  0.281  0.281  1.0
  O  O16  1  0.799  0.504  0.504  1.0
  O  O17  1  0.201  0.704  0.704  1.0
  O  O18  1  1.000  0.496  0.296  1.0
  O  O19  1  0.504  0.504  0.799  1.0
  O  O20  1  1.000  0.296  0.496  1.0
  O  O21  1  0.704  0.704  0.201  1.0
  O  O22  1  0.496  0.296  0.000  1.0
  O  O23  1  0.296  0.496  0.000  1.0
  O  O24  1  0.504  0.799  0.504  1.0
  O  O25  1  0.296  0.000  0.496  1.0
  O  O26  1  0.496  0.000  0.296  1.0
  O  O27  1  0.704  0.201  0.704  1.0
  O  O28  1  0.278  0.478  0.478  1.0
  O  O29  1  0.722  0.200  0.200  1.0
  O  O30  1  0.000  0.522  0.800  1.0
  O  O31  1  0.478  0.478  0.278  1.0
  O  O32  1  0.000  0.800  0.522  1.0
  O  O33  1  0.200  0.200  0.722  1.0
  O  O34  1  0.522  0.800  0.000  1.0
  O  O35  1  0.800  0.522  1.000  1.0
  O  O36  1  0.478  0.278  0.478  1.0
  O  O37  1  0.800  1.000  0.522  1.0
  O  O38  1  0.522  0.000  0.800  1.0
  O  O39  1  0.200  0.722  0.200  1.0
[/CIF]
.
The compound described by Y3Sb5O12 crystallizes in the cubic I-43m space group. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Y(1), one Sb(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Y3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.322
_cell_length_b   9.322
_cell_length_c   9.322
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   623.575
_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
  Y  Y0  1  0.250  0.750  0.500  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.750  0.500  0.250  1.0
  Y  Y3  1  0.250  0.500  0.750  1.0
  Y  Y4  1  0.500  0.250  0.750  1.0
  Y  Y5  1  0.500  0.750  0.250  1.0
  Sb  Sb6  1  0.516  0.516  0.516  1.0
  Sb  Sb7  1  0.484  0.000  0.000  1.0
  Sb  Sb8  1  0.000  0.484  0.000  1.0
  Sb  Sb9  1  1.000  1.000  0.484  1.0
  Sb  Sb10  1  0.719  0.719  0.000  1.0
  Sb  Sb11  1  0.281  0.281  1.000  1.0
  Sb  Sb12  1  0.719  0.000  0.719  1.0
  Sb  Sb13  1  0.281  0.000  0.281  1.0
  Sb  Sb14  1  1.000  0.719  0.719  1.0
  Sb  Sb15  1  1.000  0.281  0.281  1.0
  O  O16  1  0.799  0.504  0.504  1.0
  O  O17  1  0.201  0.704  0.704  1.0
  O  O18  1  1.000  0.496  0.296  1.0
  O  O19  1  0.504  0.504  0.799  1.0
  O  O20  1  1.000  0.296  0.496  1.0
  O  O21  1  0.704  0.704  0.201  1.0
  O  O22  1  0.496  0.296  0.000  1.0
  O  O23  1  0.296  0.496  0.000  1.0
  O  O24  1  0.504  0.799  0.504  1.0
  O  O25  1  0.296  0.000  0.496  1.0
  O  O26  1  0.496  0.000  0.296  1.0
  O  O27  1  0.704  0.201  0.704  1.0
  O  O28  1  0.278  0.478  0.478  1.0
  O  O29  1  0.722  0.200  0.200  1.0
  O  O30  1  0.000  0.522  0.800  1.0
  O  O31  1  0.478  0.478  0.278  1.0
  O  O32  1  0.000  0.800  0.522  1.0
  O  O33  1  0.200  0.200  0.722  1.0
  O  O34  1  0.522  0.800  0.000  1.0
  O  O35  1  0.800  0.522  1.000  1.0
  O  O36  1  0.478  0.278  0.478  1.0
  O  O37  1  0.800  1.000  0.522  1.0
  O  O38  1  0.522  0.000  0.800  1.0
  O  O39  1  0.200  0.722  0.200  1.0
[/CIF]
.