The material described by La3Co2CuO9 crystallizes in the trigonal P-3c1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Co(1) 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 and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_La3Co2CuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   13.179
_cell_length_c   5.587
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.330
_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
  La  La0  1  0.667  0.584  0.667  1.0
  La  La1  1  0.000  0.250  0.000  1.0
  La  La2  1  0.333  0.916  0.333  1.0
  La  La3  1  0.667  0.084  0.667  1.0
  La  La4  1  0.000  0.750  0.000  1.0
  La  La5  1  0.333  0.416  0.333  1.0
  Co  Co6  1  0.667  0.835  0.667  1.0
  Co  Co7  1  0.333  0.165  0.333  1.0
  Co  Co8  1  0.667  0.335  0.667  1.0
  Co  Co9  1  0.333  0.665  0.333  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.336  0.415  0.896  1.0
  O  O13  1  0.000  0.750  0.566  1.0
  O  O14  1  0.664  0.085  0.232  1.0
  O  O15  1  0.768  0.415  0.336  1.0
  O  O16  1  0.434  0.750  0.000  1.0
  O  O17  1  0.104  0.085  0.664  1.0
  O  O18  1  0.896  0.415  0.768  1.0
  O  O19  1  0.566  0.750  0.434  1.0
  O  O20  1  0.232  0.085  0.104  1.0
  O  O21  1  0.232  0.585  0.664  1.0
  O  O22  1  0.896  0.915  0.336  1.0
  O  O23  1  0.566  0.250  0.000  1.0
  O  O24  1  0.104  0.585  0.232  1.0
  O  O25  1  0.768  0.915  0.896  1.0
  O  O26  1  0.434  0.250  0.566  1.0
  O  O27  1  0.664  0.585  0.104  1.0
  O  O28  1  0.336  0.915  0.768  1.0
  O  O29  1  0.000  0.250  0.434  1.0
[/CIF]
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The material described by La3Co2CuO9 crystallizes in the trigonal P-3c1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Co(1) 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 and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_La3Co2CuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   13.179
_cell_length_c   5.587
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.330
_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
  La  La0  1  0.667  0.584  0.667  1.0
  La  La1  1  0.000  0.250  0.000  1.0
  La  La2  1  0.333  0.916  0.333  1.0
  La  La3  1  0.667  0.084  0.667  1.0
  La  La4  1  0.000  0.750  0.000  1.0
  La  La5  1  0.333  0.416  0.333  1.0
  Co  Co6  1  0.667  0.835  0.667  1.0
  Co  Co7  1  0.333  0.165  0.333  1.0
  Co  Co8  1  0.667  0.335  0.667  1.0
  Co  Co9  1  0.333  0.665  0.333  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.336  0.415  0.896  1.0
  O  O13  1  0.000  0.750  0.566  1.0
  O  O14  1  0.664  0.085  0.232  1.0
  O  O15  1  0.768  0.415  0.336  1.0
  O  O16  1  0.434  0.750  0.000  1.0
  O  O17  1  0.104  0.085  0.664  1.0
  O  O18  1  0.896  0.415  0.768  1.0
  O  O19  1  0.566  0.750  0.434  1.0
  O  O20  1  0.232  0.085  0.104  1.0
  O  O21  1  0.232  0.585  0.664  1.0
  O  O22  1  0.896  0.915  0.336  1.0
  O  O23  1  0.566  0.250  0.000  1.0
  O  O24  1  0.104  0.585  0.232  1.0
  O  O25  1  0.768  0.915  0.896  1.0
  O  O26  1  0.434  0.250  0.566  1.0
  O  O27  1  0.664  0.585  0.104  1.0
  O  O28  1  0.336  0.915  0.768  1.0
  O  O29  1  0.000  0.250  0.434  1.0
[/CIF]
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