The material structure described by CrIrO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Ir(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_CrIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.065
_cell_length_b   5.416
_cell_length_c   4.472
_cell_angle_alpha   90.250
_cell_angle_beta   90.001
_cell_angle_gamma   55.531
_symmetry_Int_Tables_number   1
_cell_volume   61.199
_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
  Cr  Cr0  1  0.500  1.000  0.000  1.0
  Ir  Ir1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.191  0.808  0.810  1.0
  O  O3  1  0.199  0.301  0.698  1.0
  O  O4  1  0.809  0.191  0.191  1.0
  O  O5  1  0.801  0.698  0.303  1.0
[/CIF]
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The material structure described by CrIrO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Ir(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_CrIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.065
_cell_length_b   5.416
_cell_length_c   4.472
_cell_angle_alpha   90.250
_cell_angle_beta   90.001
_cell_angle_gamma   55.531
_symmetry_Int_Tables_number   1
_cell_volume   61.199
_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
  Cr  Cr0  1  0.500  1.000  0.000  1.0
  Ir  Ir1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.191  0.808  0.810  1.0
  O  O3  1  0.199  0.301  0.698  1.0
  O  O4  1  0.809  0.191  0.191  1.0
  O  O5  1  0.801  0.698  0.303  1.0
[/CIF]
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