The material structure described by MgAl2(CoO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Al(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Mg(1)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 44-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgAl2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   5.721
_cell_length_c   4.988
_cell_angle_alpha   89.739
_cell_angle_beta   59.962
_cell_angle_gamma   115.287
_symmetry_Int_Tables_number   1
_cell_volume   107.019
_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
  Mg  Mg0  1  1.000  0.500  0.499  1.0
  Al  Al1  1  0.298  0.450  0.850  1.0
  Al  Al2  1  0.701  0.550  0.149  1.0
  Co  Co3  1  0.338  0.008  0.331  1.0
  Co  Co4  1  0.663  0.992  0.666  1.0
  O  O5  1  0.789  0.717  0.766  1.0
  O  O6  1  0.841  0.284  0.926  1.0
  O  O7  1  0.482  0.717  0.441  1.0
  O  O8  1  0.518  0.284  0.556  1.0
  O  O9  1  0.159  0.716  0.072  1.0
  O  O10  1  0.210  0.283  0.232  1.0
[/CIF]
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The material structure described by MgAl2(CoO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Al(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Mg(1)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 44-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent Co(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMgAl2Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgAl2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   5.721
_cell_length_c   4.988
_cell_angle_alpha   89.739
_cell_angle_beta   59.962
_cell_angle_gamma   115.287
_symmetry_Int_Tables_number   1
_cell_volume   107.019
_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
  Mg  Mg0  1  1.000  0.500  0.499  1.0
  Al  Al1  1  0.298  0.450  0.850  1.0
  Al  Al2  1  0.701  0.550  0.149  1.0
  Co  Co3  1  0.338  0.008  0.331  1.0
  Co  Co4  1  0.663  0.992  0.666  1.0
  O  O5  1  0.789  0.717  0.766  1.0
  O  O6  1  0.841  0.284  0.926  1.0
  O  O7  1  0.482  0.717  0.441  1.0
  O  O8  1  0.518  0.284  0.556  1.0
  O  O9  1  0.159  0.716  0.072  1.0
  O  O10  1  0.210  0.283  0.232  1.0
[/CIF]
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