The crystal structure described by YCr2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to one O(2) and three equivalent O(1) atoms to form YO4 tetrahedra that share corners with three equivalent Cr(2)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OYCr3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OYCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_YCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   6.340
_cell_length_c   6.340
_cell_angle_alpha   60.413
_cell_angle_beta   60.413
_cell_angle_gamma   60.413
_symmetry_Int_Tables_number   1
_cell_volume   181.856
_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
  Y  Y0  1  0.622  0.622  0.622  1.0
  Y  Y1  1  0.378  0.378  0.378  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.763  0.203  0.763  1.0
  O  O7  1  0.237  0.237  0.797  1.0
  O  O8  1  0.797  0.237  0.237  1.0
  O  O9  1  0.240  0.240  0.240  1.0
  O  O10  1  0.763  0.763  0.203  1.0
  O  O11  1  0.237  0.797  0.237  1.0
  O  O12  1  0.203  0.763  0.763  1.0
  O  O13  1  0.760  0.760  0.760  1.0
[/CIF]
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The crystal structure described by YCr2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to one O(2) and three equivalent O(1) atoms to form YO4 tetrahedra that share corners with three equivalent Cr(2)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OYCr3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OYCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_YCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   6.340
_cell_length_c   6.340
_cell_angle_alpha   60.413
_cell_angle_beta   60.413
_cell_angle_gamma   60.413
_symmetry_Int_Tables_number   1
_cell_volume   181.856
_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
  Y  Y0  1  0.622  0.622  0.622  1.0
  Y  Y1  1  0.378  0.378  0.378  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.763  0.203  0.763  1.0
  O  O7  1  0.237  0.237  0.797  1.0
  O  O8  1  0.797  0.237  0.237  1.0
  O  O9  1  0.240  0.240  0.240  1.0
  O  O10  1  0.763  0.763  0.203  1.0
  O  O11  1  0.237  0.797  0.237  1.0
  O  O12  1  0.203  0.763  0.763  1.0
  O  O13  1  0.760  0.760  0.760  1.0
[/CIF]
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