The material described by BaLa2(CoO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with six equivalent Co(2)O6 octahedra. La(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent La(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, and faces with five equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with five equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent La(1), one Co(1), and one Co(2) atom to form distorted OBaLa3Co2 octahedra that share corners with eight equivalent O(2)Ba2La2Co2 octahedra, corners with fourteen equivalent O(1)BaLa3Co2 octahedra, edges with two equivalent O(2)Ba2La2Co2 octahedra, edges with two equivalent O(1)BaLa3Co2 octahedra, faces with two equivalent O(2)Ba2La2Co2 octahedra, and faces with six equivalent O(1)BaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(2) atoms to form distorted OBa2La2Co2 octahedra that share corners with six equivalent O(2)Ba2La2Co2 octahedra, corners with sixteen equivalent O(1)BaLa3Co2 octahedra, edges with four equivalent O(1)BaLa3Co2 octahedra, faces with four equivalent O(2)Ba2La2Co2 octahedra, and faces with four equivalent O(1)BaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_BaLa2(CoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.522
_cell_length_c   6.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.962
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.667  0.333  0.335  1.0
  La  La2  1  0.333  0.667  0.665  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.667  0.333  0.835  1.0
  Co  Co5  1  0.333  0.667  0.165  1.0
  O  O6  1  0.656  0.828  0.346  1.0
  O  O7  1  0.344  0.172  0.654  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.828  0.656  0.654  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.172  0.344  0.346  1.0
  O  O12  1  0.828  0.172  0.654  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.172  0.828  0.346  1.0
[/CIF]
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The material described by BaLa2(CoO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with six equivalent Co(2)O6 octahedra. La(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent La(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, and faces with five equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with five equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent La(1), one Co(1), and one Co(2) atom to form distorted OBaLa3Co2 octahedra that share corners with eight equivalent O(2)Ba2La2Co2 octahedra, corners with fourteen equivalent O(1)BaLa3Co2 octahedra, edges with two equivalent O(2)Ba2La2Co2 octahedra, edges with two equivalent O(1)BaLa3Co2 octahedra, faces with two equivalent O(2)Ba2La2Co2 octahedra, and faces with six equivalent O(1)BaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(2) atoms to form distorted OBa2La2Co2 octahedra that share corners with six equivalent O(2)Ba2La2Co2 octahedra, corners with sixteen equivalent O(1)BaLa3Co2 octahedra, edges with four equivalent O(1)BaLa3Co2 octahedra, faces with four equivalent O(2)Ba2La2Co2 octahedra, and faces with four equivalent O(1)BaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_BaLa2(CoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.522
_cell_length_c   6.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.962
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.667  0.333  0.335  1.0
  La  La2  1  0.333  0.667  0.665  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.667  0.333  0.835  1.0
  Co  Co5  1  0.333  0.667  0.165  1.0
  O  O6  1  0.656  0.828  0.346  1.0
  O  O7  1  0.344  0.172  0.654  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.828  0.656  0.654  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.172  0.344  0.346  1.0
  O  O12  1  0.828  0.172  0.654  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.172  0.828  0.346  1.0
[/CIF]
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