The structure described by CrZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-82°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.127
_cell_length_c   7.647
_cell_angle_alpha   90.008
_cell_angle_beta   90.009
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   200.170
_cell_formula_units_Z   4
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  0.014  0.030  0.250  1.0
  Zn  Zn1  1  0.514  0.469  0.750  1.0
  Zn  Zn2  1  0.486  0.531  0.250  1.0
  Zn  Zn3  1  0.986  0.969  0.750  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  1.000  0.500  0.000  1.0
  Cr  Cr6  1  1.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.895  0.579  0.750  1.0
  O  O9  1  0.395  0.921  0.250  1.0
  O  O10  1  0.606  0.079  0.750  1.0
  O  O11  1  0.105  0.421  0.250  1.0
  O  O12  1  0.668  0.321  0.439  1.0
  O  O13  1  0.168  0.179  0.560  1.0
  O  O14  1  0.832  0.821  0.060  1.0
  O  O15  1  0.332  0.679  0.940  1.0
  O  O16  1  0.668  0.321  0.061  1.0
  O  O17  1  0.168  0.179  0.940  1.0
  O  O18  1  0.332  0.679  0.560  1.0
  O  O19  1  0.832  0.821  0.440  1.0
[/CIF]
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The structure described by CrZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-82°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.127
_cell_length_c   7.647
_cell_angle_alpha   90.008
_cell_angle_beta   90.009
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   200.170
_cell_formula_units_Z   4
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  0.014  0.030  0.250  1.0
  Zn  Zn1  1  0.514  0.469  0.750  1.0
  Zn  Zn2  1  0.486  0.531  0.250  1.0
  Zn  Zn3  1  0.986  0.969  0.750  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  1.000  0.500  0.000  1.0
  Cr  Cr6  1  1.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.895  0.579  0.750  1.0
  O  O9  1  0.395  0.921  0.250  1.0
  O  O10  1  0.606  0.079  0.750  1.0
  O  O11  1  0.105  0.421  0.250  1.0
  O  O12  1  0.668  0.321  0.439  1.0
  O  O13  1  0.168  0.179  0.560  1.0
  O  O14  1  0.832  0.821  0.060  1.0
  O  O15  1  0.332  0.679  0.940  1.0
  O  O16  1  0.668  0.321  0.061  1.0
  O  O17  1  0.168  0.179  0.940  1.0
  O  O18  1  0.332  0.679  0.560  1.0
  O  O19  1  0.832  0.821  0.440  1.0
[/CIF]
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