The material structure described by TaWZn2O6 crystallizes in the orthorhombic Imm2 space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. Zn(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ta(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one W(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   5.669
_cell_length_c   5.669
_cell_angle_alpha   120.977
_cell_angle_beta   119.667
_cell_angle_gamma   89.447
_symmetry_Int_Tables_number   1
_cell_volume   128.189
_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
  Ta  Ta0  1  0.000  0.014  0.014  1.0
  Zn  Zn1  1  0.751  0.217  0.467  1.0
  Zn  Zn2  1  0.249  0.716  0.467  1.0
  W  W3  1  0.500  0.517  0.017  1.0
  O  O4  1  0.753  0.788  0.035  1.0
  O  O5  1  0.247  0.282  0.035  1.0
  O  O6  1  0.757  0.281  0.038  1.0
  O  O7  1  0.243  0.281  0.524  1.0
  O  O8  1  0.750  0.775  0.525  1.0
  O  O9  1  0.250  0.775  0.025  1.0
[/CIF]
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The material structure described by TaWZn2O6 crystallizes in the orthorhombic Imm2 space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. Zn(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ta(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one W(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   5.669
_cell_length_c   5.669
_cell_angle_alpha   120.977
_cell_angle_beta   119.667
_cell_angle_gamma   89.447
_symmetry_Int_Tables_number   1
_cell_volume   128.189
_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
  Ta  Ta0  1  0.000  0.014  0.014  1.0
  Zn  Zn1  1  0.751  0.217  0.467  1.0
  Zn  Zn2  1  0.249  0.716  0.467  1.0
  W  W3  1  0.500  0.517  0.017  1.0
  O  O4  1  0.753  0.788  0.035  1.0
  O  O5  1  0.247  0.282  0.035  1.0
  O  O6  1  0.757  0.281  0.038  1.0
  O  O7  1  0.243  0.281  0.524  1.0
  O  O8  1  0.750  0.775  0.525  1.0
  O  O9  1  0.250  0.775  0.025  1.0
[/CIF]
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