The material described by IrZn2SnO6 crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-83°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), two equivalent Zn(1), and one Sn(1) atom to form distorted corner-sharing OZn2SnIr tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ir(1), one Zn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ir(1), one Zn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Zn2SnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.338
_cell_length_c   9.468
_cell_angle_alpha   55.648
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.870
_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
  Zn  Zn0  1  0.971  0.261  0.750  1.0
  Zn  Zn1  1  0.471  0.739  0.750  1.0
  Zn  Zn2  1  0.529  0.261  0.250  1.0
  Zn  Zn3  1  0.029  0.739  0.250  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.405  0.622  0.257  1.0
  O  O9  1  0.167  0.892  0.931  1.0
  O  O10  1  0.176  0.269  0.567  1.0
  O  O11  1  0.676  0.731  0.933  1.0
  O  O12  1  0.667  0.108  0.569  1.0
  O  O13  1  0.905  0.378  0.243  1.0
  O  O14  1  0.095  0.622  0.757  1.0
  O  O15  1  0.333  0.892  0.431  1.0
  O  O16  1  0.324  0.269  0.067  1.0
  O  O17  1  0.833  0.108  0.069  1.0
  O  O18  1  0.824  0.731  0.433  1.0
  O  O19  1  0.595  0.378  0.743  1.0
[/CIF]
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The material described by IrZn2SnO6 crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-83°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), two equivalent Zn(1), and one Sn(1) atom to form distorted corner-sharing OZn2SnIr tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ir(1), one Zn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ir(1), one Zn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Zn2SnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.338
_cell_length_c   9.468
_cell_angle_alpha   55.648
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.870
_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
  Zn  Zn0  1  0.971  0.261  0.750  1.0
  Zn  Zn1  1  0.471  0.739  0.750  1.0
  Zn  Zn2  1  0.529  0.261  0.250  1.0
  Zn  Zn3  1  0.029  0.739  0.250  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.405  0.622  0.257  1.0
  O  O9  1  0.167  0.892  0.931  1.0
  O  O10  1  0.176  0.269  0.567  1.0
  O  O11  1  0.676  0.731  0.933  1.0
  O  O12  1  0.667  0.108  0.569  1.0
  O  O13  1  0.905  0.378  0.243  1.0
  O  O14  1  0.095  0.622  0.757  1.0
  O  O15  1  0.333  0.892  0.431  1.0
  O  O16  1  0.324  0.269  0.067  1.0
  O  O17  1  0.833  0.108  0.069  1.0
  O  O18  1  0.824  0.731  0.433  1.0
  O  O19  1  0.595  0.378  0.743  1.0
[/CIF]
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