The material structure described by CoAlO3 is Ilmenite structured and crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Al(2)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, corners with six equivalent Al(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. is represented by the CIF card [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   5.366
_cell_length_c   4.937
_cell_angle_alpha   87.085
_cell_angle_beta   59.720
_cell_angle_gamma   115.956
_symmetry_Int_Tables_number   1
_cell_volume   93.404
_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
  Al  Al0  1  0.308  0.459  0.848  1.0
  Al  Al1  1  0.695  0.547  0.151  1.0
  Co  Co2  1  0.312  0.948  0.337  1.0
  Co  Co3  1  0.687  0.065  0.662  1.0
  O  O4  1  0.811  0.741  0.750  1.0
  O  O5  1  0.813  0.254  0.959  1.0
  O  O6  1  0.488  0.731  0.434  1.0
  O  O7  1  0.501  0.275  0.567  1.0
  O  O8  1  0.179  0.728  0.051  1.0
  O  O9  1  0.205  0.250  0.241  1.0
[/CIF]
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The material structure described by CoAlO3 is Ilmenite structured and crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Al(2)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, corners with six equivalent Al(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form AlO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Co(1), one Co(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Co2 trigonal pyramids. is represented by the CIF card [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   5.366
_cell_length_c   4.937
_cell_angle_alpha   87.085
_cell_angle_beta   59.720
_cell_angle_gamma   115.956
_symmetry_Int_Tables_number   1
_cell_volume   93.404
_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
  Al  Al0  1  0.308  0.459  0.848  1.0
  Al  Al1  1  0.695  0.547  0.151  1.0
  Co  Co2  1  0.312  0.948  0.337  1.0
  Co  Co3  1  0.687  0.065  0.662  1.0
  O  O4  1  0.811  0.741  0.750  1.0
  O  O5  1  0.813  0.254  0.959  1.0
  O  O6  1  0.488  0.731  0.434  1.0
  O  O7  1  0.501  0.275  0.567  1.0
  O  O8  1  0.179  0.728  0.051  1.0
  O  O9  1  0.205  0.250  0.241  1.0
[/CIF]
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