The compound described by CoAlO3 crystallizes in the triclinic P-1 space group. Co(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Co(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.860
_cell_length_b   4.877
_cell_length_c   5.187
_cell_angle_alpha   116.187
_cell_angle_beta   89.944
_cell_angle_gamma   118.688
_symmetry_Int_Tables_number   1
_cell_volume   93.239
_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  0.846  0.155  0.544  1.0
  Al  Al1  1  0.154  0.845  0.456  1.0
  Co  Co2  1  0.351  0.655  0.052  1.0
  Co  Co3  1  0.649  0.345  0.948  1.0
  O  O4  1  0.443  0.242  0.263  1.0
  O  O5  1  0.232  0.044  0.744  1.0
  O  O6  1  0.075  0.565  0.267  1.0
  O  O7  1  0.925  0.435  0.733  1.0
  O  O8  1  0.768  0.956  0.256  1.0
  O  O9  1  0.557  0.758  0.737  1.0
[/CIF]
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The compound described by CoAlO3 crystallizes in the triclinic P-1 space group. Co(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Co(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.860
_cell_length_b   4.877
_cell_length_c   5.187
_cell_angle_alpha   116.187
_cell_angle_beta   89.944
_cell_angle_gamma   118.688
_symmetry_Int_Tables_number   1
_cell_volume   93.239
_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  0.846  0.155  0.544  1.0
  Al  Al1  1  0.154  0.845  0.456  1.0
  Co  Co2  1  0.351  0.655  0.052  1.0
  Co  Co3  1  0.649  0.345  0.948  1.0
  O  O4  1  0.443  0.242  0.263  1.0
  O  O5  1  0.232  0.044  0.744  1.0
  O  O6  1  0.075  0.565  0.267  1.0
  O  O7  1  0.925  0.435  0.733  1.0
  O  O8  1  0.768  0.956  0.256  1.0
  O  O9  1  0.557  0.758  0.737  1.0
[/CIF]
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