The material described by Ba8Zr3(SbO6)4 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to one O(5), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra,  a faceface with one Zr(2)O6 octahedra, faces with two equivalent Zr(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with two equivalent Sb(2)O6 octahedra. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Zr site, Zr(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Zr site, Zr(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(5), one O(6), and four equivalent O(4) atoms to form SbO6 octahedra that share  a cornercorner with one Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(1), and one Sb(2) atom. In the second O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(1), and one Sb(1) atom. In the third O site, O(5) is bonded to four equivalent Ba(1) and one Sb(1) atom to form distorted edge-sharing OBa4Sb square pyramids. In the fourth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1), one Zr(2), and one Sb(1) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(2), and one Sb(2) atom. In the sixth O site, O(2) is bonded to four equivalent Ba(1) and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OBa4Sb square pyramids. is represented by the CIF file [CIF]
data_Ba8Zr3(SbO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.315
_cell_length_b   10.315
_cell_length_c   10.315
_cell_angle_alpha   131.992
_cell_angle_beta   131.992
_cell_angle_gamma   70.242
_symmetry_Int_Tables_number   1
_cell_volume   594.229
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.352  0.352  0.467  1.0
  Ba  Ba1  1  0.352  0.885  0.000  1.0
  Ba  Ba2  1  0.648  0.115  0.000  1.0
  Ba  Ba3  1  0.648  0.648  0.533  1.0
  Ba  Ba4  1  0.885  0.885  0.533  1.0
  Ba  Ba5  1  0.115  0.648  0.000  1.0
  Ba  Ba6  1  0.115  0.115  0.467  1.0
  Ba  Ba7  1  0.885  0.352  0.000  1.0
  Zr  Zr8  1  0.250  0.750  0.500  1.0
  Zr  Zr9  1  0.750  0.250  0.500  1.0
  Zr  Zr10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.256  0.256  0.000  1.0
  Sb  Sb12  1  0.744  0.744  0.000  1.0
  Sb  Sb13  1  0.000  0.500  0.500  1.0
  Sb  Sb14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.752  0.500  0.252  1.0
  O  O16  1  0.000  0.729  0.729  1.0
  O  O17  1  0.500  0.752  0.252  1.0
  O  O18  1  0.500  0.248  0.748  1.0
  O  O19  1  0.376  0.876  0.500  1.0
  O  O20  1  0.729  0.000  0.729  1.0
  O  O21  1  0.000  0.271  0.271  1.0
  O  O22  1  0.255  0.501  0.246  1.0
  O  O23  1  0.248  0.500  0.748  1.0
  O  O24  1  0.141  0.141  0.000  1.0
  O  O25  1  0.271  0.000  0.271  1.0
  O  O26  1  0.991  0.745  0.246  1.0
  O  O27  1  0.499  0.745  0.754  1.0
  O  O28  1  0.626  0.626  0.000  1.0
  O  O29  1  0.009  0.255  0.754  1.0
  O  O30  1  0.859  0.859  0.000  1.0
  O  O31  1  0.745  0.991  0.246  1.0
  O  O32  1  0.501  0.255  0.246  1.0
  O  O33  1  0.374  0.374  0.000  1.0
  O  O34  1  0.255  0.009  0.754  1.0
  O  O35  1  0.745  0.499  0.754  1.0
  O  O36  1  0.124  0.624  0.500  1.0
  O  O37  1  0.624  0.124  0.500  1.0
  O  O38  1  0.876  0.376  0.500  1.0
[/CIF]
.
The material described by Ba8Zr3(SbO6)4 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to one O(5), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra,  a faceface with one Zr(2)O6 octahedra, faces with two equivalent Zr(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with two equivalent Sb(2)O6 octahedra. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Zr site, Zr(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Zr site, Zr(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(5), one O(6), and four equivalent O(4) atoms to form SbO6 octahedra that share  a cornercorner with one Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(1), and one Sb(2) atom. In the second O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(1), and one Sb(1) atom. In the third O site, O(5) is bonded to four equivalent Ba(1) and one Sb(1) atom to form distorted edge-sharing OBa4Sb square pyramids. In the fourth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1), one Zr(2), and one Sb(1) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Zr(2), and one Sb(2) atom. In the sixth O site, O(2) is bonded to four equivalent Ba(1) and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OBa4Sb square pyramids. is represented by the CIF file [CIF]
data_Ba8Zr3(SbO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.315
_cell_length_b   10.315
_cell_length_c   10.315
_cell_angle_alpha   131.992
_cell_angle_beta   131.992
_cell_angle_gamma   70.242
_symmetry_Int_Tables_number   1
_cell_volume   594.229
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.352  0.352  0.467  1.0
  Ba  Ba1  1  0.352  0.885  0.000  1.0
  Ba  Ba2  1  0.648  0.115  0.000  1.0
  Ba  Ba3  1  0.648  0.648  0.533  1.0
  Ba  Ba4  1  0.885  0.885  0.533  1.0
  Ba  Ba5  1  0.115  0.648  0.000  1.0
  Ba  Ba6  1  0.115  0.115  0.467  1.0
  Ba  Ba7  1  0.885  0.352  0.000  1.0
  Zr  Zr8  1  0.250  0.750  0.500  1.0
  Zr  Zr9  1  0.750  0.250  0.500  1.0
  Zr  Zr10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.256  0.256  0.000  1.0
  Sb  Sb12  1  0.744  0.744  0.000  1.0
  Sb  Sb13  1  0.000  0.500  0.500  1.0
  Sb  Sb14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.752  0.500  0.252  1.0
  O  O16  1  0.000  0.729  0.729  1.0
  O  O17  1  0.500  0.752  0.252  1.0
  O  O18  1  0.500  0.248  0.748  1.0
  O  O19  1  0.376  0.876  0.500  1.0
  O  O20  1  0.729  0.000  0.729  1.0
  O  O21  1  0.000  0.271  0.271  1.0
  O  O22  1  0.255  0.501  0.246  1.0
  O  O23  1  0.248  0.500  0.748  1.0
  O  O24  1  0.141  0.141  0.000  1.0
  O  O25  1  0.271  0.000  0.271  1.0
  O  O26  1  0.991  0.745  0.246  1.0
  O  O27  1  0.499  0.745  0.754  1.0
  O  O28  1  0.626  0.626  0.000  1.0
  O  O29  1  0.009  0.255  0.754  1.0
  O  O30  1  0.859  0.859  0.000  1.0
  O  O31  1  0.745  0.991  0.246  1.0
  O  O32  1  0.501  0.255  0.246  1.0
  O  O33  1  0.374  0.374  0.000  1.0
  O  O34  1  0.255  0.009  0.754  1.0
  O  O35  1  0.745  0.499  0.754  1.0
  O  O36  1  0.124  0.624  0.500  1.0
  O  O37  1  0.624  0.124  0.500  1.0
  O  O38  1  0.876  0.376  0.500  1.0
[/CIF]
.