The crystal structure described by CrAlO4 is Rutile-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 Al(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.467
_cell_length_b   4.467
_cell_length_c   2.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.361
_symmetry_Int_Tables_number   1
_cell_volume   57.912
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.302  0.698  0.000  1.0
  O  O3  1  0.803  0.803  0.500  1.0
  O  O4  1  0.698  0.302  0.000  1.0
  O  O5  1  0.197  0.197  0.500  1.0
[/CIF]
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The crystal structure described by CrAlO4 is Rutile-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 Al(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.467
_cell_length_b   4.467
_cell_length_c   2.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.361
_symmetry_Int_Tables_number   1
_cell_volume   57.912
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.302  0.698  0.000  1.0
  O  O3  1  0.803  0.803  0.500  1.0
  O  O4  1  0.698  0.302  0.000  1.0
  O  O5  1  0.197  0.197  0.500  1.0
[/CIF]
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