The material described by CrAl3O6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, corners with six equivalent Al(3)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent Al(2)O6 octahedra, edges with three equivalent Al(3)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Al site, Al(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(3)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Al site, Al(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Al(1), one Al(2), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl3Cr trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Al(1), one Al(2), and one Al(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.819
_cell_length_b   4.819
_cell_length_c   5.184
_cell_angle_alpha   90.001
_cell_angle_beta   62.305
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   87.964
_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  0.298  0.851  0.553  1.0
  Al  Al1  1  0.301  0.350  0.049  1.0
  Al  Al2  1  0.705  0.147  0.442  1.0
  Cr  Cr3  1  0.702  0.649  0.946  1.0
  O  O4  1  0.495  0.440  0.251  1.0
  O  O5  1  0.813  0.746  0.251  1.0
  O  O6  1  0.189  0.064  0.251  1.0
  O  O7  1  0.213  0.233  0.742  1.0
  O  O8  1  0.812  0.956  0.742  1.0
  O  O9  1  0.491  0.554  0.742  1.0
[/CIF]
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The material described by CrAl3O6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, corners with six equivalent Al(3)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent Al(2)O6 octahedra, edges with three equivalent Al(3)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Al site, Al(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(3)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Al site, Al(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Al(1), one Al(2), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl3Cr trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Al(1), one Al(2), and one Al(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.819
_cell_length_b   4.819
_cell_length_c   5.184
_cell_angle_alpha   90.001
_cell_angle_beta   62.305
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   87.964
_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  0.298  0.851  0.553  1.0
  Al  Al1  1  0.301  0.350  0.049  1.0
  Al  Al2  1  0.705  0.147  0.442  1.0
  Cr  Cr3  1  0.702  0.649  0.946  1.0
  O  O4  1  0.495  0.440  0.251  1.0
  O  O5  1  0.813  0.746  0.251  1.0
  O  O6  1  0.189  0.064  0.251  1.0
  O  O7  1  0.213  0.233  0.742  1.0
  O  O8  1  0.812  0.956  0.742  1.0
  O  O9  1  0.491  0.554  0.742  1.0
[/CIF]
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