The crystal structure described by ZrCrO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_ZrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   11.854
_cell_length_c   4.939
_cell_angle_alpha   90.004
_cell_angle_beta   90.003
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   278.681
_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  1.000  0.171  0.250  1.0
  Zr  Zr1  1  1.000  0.829  0.750  1.0
  Zr  Zr2  1  0.500  0.671  0.250  1.0
  Zr  Zr3  1  0.500  0.329  0.750  1.0
  Cr  Cr4  1  0.000  0.433  0.250  1.0
  Cr  Cr5  1  0.000  0.567  0.750  1.0
  Cr  Cr6  1  0.500  0.066  0.750  1.0
  Cr  Cr7  1  0.500  0.934  0.250  1.0
  O  O8  1  0.221  0.316  0.410  1.0
  O  O9  1  0.221  0.684  0.910  1.0
  O  O10  1  0.276  0.055  0.432  1.0
  O  O11  1  0.276  0.945  0.932  1.0
  O  O12  1  0.224  0.445  0.932  1.0
  O  O13  1  0.224  0.555  0.432  1.0
  O  O14  1  0.279  0.184  0.910  1.0
  O  O15  1  0.279  0.816  0.410  1.0
  O  O16  1  0.721  0.184  0.590  1.0
  O  O17  1  0.721  0.816  0.090  1.0
  O  O18  1  0.776  0.445  0.568  1.0
  O  O19  1  0.776  0.555  0.068  1.0
  O  O20  1  0.724  0.055  0.068  1.0
  O  O21  1  0.724  0.945  0.568  1.0
  O  O22  1  0.778  0.684  0.590  1.0
  O  O23  1  0.778  0.316  0.090  1.0
[/CIF]
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The crystal structure described by ZrCrO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_ZrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   11.854
_cell_length_c   4.939
_cell_angle_alpha   90.004
_cell_angle_beta   90.003
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   278.681
_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  1.000  0.171  0.250  1.0
  Zr  Zr1  1  1.000  0.829  0.750  1.0
  Zr  Zr2  1  0.500  0.671  0.250  1.0
  Zr  Zr3  1  0.500  0.329  0.750  1.0
  Cr  Cr4  1  0.000  0.433  0.250  1.0
  Cr  Cr5  1  0.000  0.567  0.750  1.0
  Cr  Cr6  1  0.500  0.066  0.750  1.0
  Cr  Cr7  1  0.500  0.934  0.250  1.0
  O  O8  1  0.221  0.316  0.410  1.0
  O  O9  1  0.221  0.684  0.910  1.0
  O  O10  1  0.276  0.055  0.432  1.0
  O  O11  1  0.276  0.945  0.932  1.0
  O  O12  1  0.224  0.445  0.932  1.0
  O  O13  1  0.224  0.555  0.432  1.0
  O  O14  1  0.279  0.184  0.910  1.0
  O  O15  1  0.279  0.816  0.410  1.0
  O  O16  1  0.721  0.184  0.590  1.0
  O  O17  1  0.721  0.816  0.090  1.0
  O  O18  1  0.776  0.445  0.568  1.0
  O  O19  1  0.776  0.555  0.068  1.0
  O  O20  1  0.724  0.055  0.068  1.0
  O  O21  1  0.724  0.945  0.568  1.0
  O  O22  1  0.778  0.684  0.590  1.0
  O  O23  1  0.778  0.316  0.090  1.0
[/CIF]
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