The structure described by Ba3TiWZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ti(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ti(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. Ti(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. W(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ti(1), and one W(1) atom to form a mixture of distorted face and corner-sharing OBa4TiW octahedra. The corner-sharing octahedral tilt angles range from 8-60°. is represented by the CIF card [CIF]
data_Ba3TiZnWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   14.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.850
_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
  Ba  Ba0  1  0.667  0.333  0.593  1.0
  Ba  Ba1  1  0.333  0.667  0.403  1.0
  Ba  Ba2  1  0.333  0.667  0.093  1.0
  Ba  Ba3  1  0.667  0.333  0.903  1.0
  Ba  Ba4  1  0.000  0.000  0.754  1.0
  Ba  Ba5  1  0.000  0.000  0.254  1.0
  Ti  Ti6  1  0.667  0.333  0.357  1.0
  Ti  Ti7  1  0.333  0.667  0.857  1.0
  Zn  Zn8  1  0.000  0.000  0.496  1.0
  Zn  Zn9  1  0.000  0.000  0.996  1.0
  W  W10  1  0.333  0.667  0.657  1.0
  W  W11  1  0.667  0.333  0.157  1.0
  O  O12  1  0.173  0.346  0.586  1.0
  O  O13  1  0.173  0.827  0.586  1.0
  O  O14  1  0.654  0.827  0.586  1.0
  O  O15  1  0.828  0.657  0.414  1.0
  O  O16  1  0.828  0.172  0.414  1.0
  O  O17  1  0.343  0.172  0.414  1.0
  O  O18  1  0.827  0.654  0.086  1.0
  O  O19  1  0.827  0.173  0.086  1.0
  O  O20  1  0.346  0.173  0.086  1.0
  O  O21  1  0.172  0.343  0.914  1.0
  O  O22  1  0.172  0.828  0.914  1.0
  O  O23  1  0.657  0.828  0.914  1.0
  O  O24  1  0.483  0.967  0.746  1.0
  O  O25  1  0.483  0.517  0.746  1.0
  O  O26  1  0.033  0.517  0.746  1.0
  O  O27  1  0.517  0.033  0.246  1.0
  O  O28  1  0.517  0.483  0.246  1.0
  O  O29  1  0.967  0.483  0.246  1.0
[/CIF]
.
The structure described by Ba3TiWZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ti(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ti(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. Ti(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. W(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ti(1), and one W(1) atom to form a mixture of distorted face and corner-sharing OBa4TiW octahedra. The corner-sharing octahedral tilt angles range from 8-60°. is represented by the CIF card [CIF]
data_Ba3TiZnWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   14.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.850
_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
  Ba  Ba0  1  0.667  0.333  0.593  1.0
  Ba  Ba1  1  0.333  0.667  0.403  1.0
  Ba  Ba2  1  0.333  0.667  0.093  1.0
  Ba  Ba3  1  0.667  0.333  0.903  1.0
  Ba  Ba4  1  0.000  0.000  0.754  1.0
  Ba  Ba5  1  0.000  0.000  0.254  1.0
  Ti  Ti6  1  0.667  0.333  0.357  1.0
  Ti  Ti7  1  0.333  0.667  0.857  1.0
  Zn  Zn8  1  0.000  0.000  0.496  1.0
  Zn  Zn9  1  0.000  0.000  0.996  1.0
  W  W10  1  0.333  0.667  0.657  1.0
  W  W11  1  0.667  0.333  0.157  1.0
  O  O12  1  0.173  0.346  0.586  1.0
  O  O13  1  0.173  0.827  0.586  1.0
  O  O14  1  0.654  0.827  0.586  1.0
  O  O15  1  0.828  0.657  0.414  1.0
  O  O16  1  0.828  0.172  0.414  1.0
  O  O17  1  0.343  0.172  0.414  1.0
  O  O18  1  0.827  0.654  0.086  1.0
  O  O19  1  0.827  0.173  0.086  1.0
  O  O20  1  0.346  0.173  0.086  1.0
  O  O21  1  0.172  0.343  0.914  1.0
  O  O22  1  0.172  0.828  0.914  1.0
  O  O23  1  0.657  0.828  0.914  1.0
  O  O24  1  0.483  0.967  0.746  1.0
  O  O25  1  0.483  0.517  0.746  1.0
  O  O26  1  0.033  0.517  0.746  1.0
  O  O27  1  0.517  0.033  0.246  1.0
  O  O28  1  0.517  0.483  0.246  1.0
  O  O29  1  0.967  0.483  0.246  1.0
[/CIF]
.