The compound described by ZrCrO3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted ZrO6 pentagonal pyramids that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Zr(1)O6 pentagonal pyramids, edges with four equivalent Cr(1)O6 octahedra, and edges with two equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-79°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 pentagonal pyramids, and edges with four equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Cr2 trigonal pyramids. is represented by the CIF card [CIF]
data_ZrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   5.382
_cell_length_c   9.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.263
_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
  Zr  Zr0  1  0.047  0.953  0.750  1.0
  Zr  Zr1  1  0.453  0.453  0.750  1.0
  Zr  Zr2  1  0.547  0.547  0.250  1.0
  Zr  Zr3  1  0.953  0.047  0.250  1.0
  Cr  Cr4  1  1.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  Cr  Cr6  1  1.000  0.500  1.000  1.0
  Cr  Cr7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.185  0.376  0.250  1.0
  O  O9  1  0.315  0.876  0.250  1.0
  O  O10  1  0.685  0.124  0.750  1.0
  O  O11  1  0.815  0.624  0.750  1.0
  O  O12  1  0.211  0.218  0.601  1.0
  O  O13  1  0.211  0.218  0.899  1.0
  O  O14  1  0.289  0.718  0.601  1.0
  O  O15  1  0.289  0.718  0.899  1.0
  O  O16  1  0.711  0.282  0.101  1.0
  O  O17  1  0.711  0.282  0.399  1.0
  O  O18  1  0.789  0.782  0.101  1.0
  O  O19  1  0.789  0.782  0.399  1.0
[/CIF]
.
The compound described by ZrCrO3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted ZrO6 pentagonal pyramids that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Zr(1)O6 pentagonal pyramids, edges with four equivalent Cr(1)O6 octahedra, and edges with two equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-79°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 pentagonal pyramids, and edges with four equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Cr2 trigonal pyramids. is represented by the CIF card [CIF]
data_ZrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   5.382
_cell_length_c   9.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.263
_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
  Zr  Zr0  1  0.047  0.953  0.750  1.0
  Zr  Zr1  1  0.453  0.453  0.750  1.0
  Zr  Zr2  1  0.547  0.547  0.250  1.0
  Zr  Zr3  1  0.953  0.047  0.250  1.0
  Cr  Cr4  1  1.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  Cr  Cr6  1  1.000  0.500  1.000  1.0
  Cr  Cr7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.185  0.376  0.250  1.0
  O  O9  1  0.315  0.876  0.250  1.0
  O  O10  1  0.685  0.124  0.750  1.0
  O  O11  1  0.815  0.624  0.750  1.0
  O  O12  1  0.211  0.218  0.601  1.0
  O  O13  1  0.211  0.218  0.899  1.0
  O  O14  1  0.289  0.718  0.601  1.0
  O  O15  1  0.289  0.718  0.899  1.0
  O  O16  1  0.711  0.282  0.101  1.0
  O  O17  1  0.711  0.282  0.399  1.0
  O  O18  1  0.789  0.782  0.101  1.0
  O  O19  1  0.789  0.782  0.399  1.0
[/CIF]
.