The material described by Ba2ZnTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Zn(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ba(1), one Zn(1), and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing OBa4ZnTe octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ZnTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   5.843
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   141.045
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.738  0.262  0.262  1.0
  O  O5  1  0.738  0.262  0.738  1.0
  O  O6  1  0.738  0.738  0.262  1.0
  O  O7  1  0.262  0.738  0.738  1.0
  O  O8  1  0.262  0.738  0.262  1.0
  O  O9  1  0.262  0.262  0.738  1.0
[/CIF]
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The material described by Ba2ZnTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Zn(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ba(1), one Zn(1), and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing OBa4ZnTe octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ZnTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   5.843
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   141.045
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.738  0.262  0.262  1.0
  O  O5  1  0.738  0.262  0.738  1.0
  O  O6  1  0.738  0.738  0.262  1.0
  O  O7  1  0.262  0.738  0.738  1.0
  O  O8  1  0.262  0.738  0.262  1.0
  O  O9  1  0.262  0.262  0.738  1.0
[/CIF]
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