The structure described by La4ReCo3O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Re(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Re(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Re(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1), one Co(1), and one Co(3) atom to form distorted OLa4Co2 octahedra that share corners with six equivalent O(1)La4Co2 octahedra, corners with eight equivalent O(3)La4Co2 octahedra, edges with four equivalent O(2)La4CoRe octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded to four equivalent La(1), one Re(1), and one Co(2) atom to form distorted OLa4CoRe octahedra that share corners with six equivalent O(2)La4CoRe octahedra, corners with eight equivalent O(3)La4Co2 octahedra, edges with four equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent La(1), one Co(2), and one Co(3) atom to form distorted OLa4Co2 octahedra that share corners with two equivalent O(3)La4Co2 octahedra, corners with four equivalent O(1)La4Co2 octahedra, corners with four equivalent O(2)La4CoRe octahedra, edges with two equivalent O(3)La4Co2 octahedra, faces with two equivalent O(1)La4Co2 octahedra, faces with two equivalent O(2)La4CoRe octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1), one Re(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_La4Co3ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.043
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.987
_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
  La  La0  1  0.500  0.273  0.000  1.0
  La  La1  1  0.000  0.727  0.500  1.0
  La  La2  1  0.500  0.727  0.000  1.0
  La  La3  1  0.000  0.273  0.500  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Re  Re7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.254  0.000  1.0
  O  O9  1  0.500  0.758  0.500  1.0
  O  O10  1  0.252  0.500  0.252  1.0
  O  O11  1  0.744  0.000  0.744  1.0
  O  O12  1  0.252  0.500  0.748  1.0
  O  O13  1  0.744  0.000  0.256  1.0
  O  O14  1  0.000  0.746  0.000  1.0
  O  O15  1  0.500  0.242  0.500  1.0
  O  O16  1  0.748  0.500  0.748  1.0
  O  O17  1  0.256  0.000  0.256  1.0
  O  O18  1  0.748  0.500  0.252  1.0
  O  O19  1  0.256  0.000  0.744  1.0
[/CIF]
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The structure described by La4ReCo3O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Re(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Re(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Re(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1), one Co(1), and one Co(3) atom to form distorted OLa4Co2 octahedra that share corners with six equivalent O(1)La4Co2 octahedra, corners with eight equivalent O(3)La4Co2 octahedra, edges with four equivalent O(2)La4CoRe octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded to four equivalent La(1), one Re(1), and one Co(2) atom to form distorted OLa4CoRe octahedra that share corners with six equivalent O(2)La4CoRe octahedra, corners with eight equivalent O(3)La4Co2 octahedra, edges with four equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent La(1), one Co(2), and one Co(3) atom to form distorted OLa4Co2 octahedra that share corners with two equivalent O(3)La4Co2 octahedra, corners with four equivalent O(1)La4Co2 octahedra, corners with four equivalent O(2)La4CoRe octahedra, edges with two equivalent O(3)La4Co2 octahedra, faces with two equivalent O(1)La4Co2 octahedra, faces with two equivalent O(2)La4CoRe octahedra, and faces with four equivalent O(3)La4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1), one Re(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_La4Co3ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.043
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.987
_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
  La  La0  1  0.500  0.273  0.000  1.0
  La  La1  1  0.000  0.727  0.500  1.0
  La  La2  1  0.500  0.727  0.000  1.0
  La  La3  1  0.000  0.273  0.500  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Re  Re7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.254  0.000  1.0
  O  O9  1  0.500  0.758  0.500  1.0
  O  O10  1  0.252  0.500  0.252  1.0
  O  O11  1  0.744  0.000  0.744  1.0
  O  O12  1  0.252  0.500  0.748  1.0
  O  O13  1  0.744  0.000  0.256  1.0
  O  O14  1  0.000  0.746  0.000  1.0
  O  O15  1  0.500  0.242  0.500  1.0
  O  O16  1  0.748  0.500  0.748  1.0
  O  O17  1  0.256  0.000  0.256  1.0
  O  O18  1  0.748  0.500  0.252  1.0
  O  O19  1  0.256  0.000  0.744  1.0
[/CIF]
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