The material described by La2CoZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(2), and one Zn(2) atom. is represented by the CIF file [CIF]
data_La2ZnCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.471
_cell_length_c   5.473
_cell_angle_alpha   61.433
_cell_angle_beta   61.525
_cell_angle_gamma   61.455
_symmetry_Int_Tables_number   1
_cell_volume   119.577
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.752  0.752  0.751  1.0
  La  La2  1  0.248  0.248  0.249  1.0
  O  O3  1  0.307  0.767  0.171  1.0
  O  O4  1  0.766  0.171  0.307  1.0
  O  O5  1  0.171  0.307  0.766  1.0
  O  O6  1  0.693  0.233  0.829  1.0
  O  O7  1  0.829  0.693  0.234  1.0
  O  O8  1  0.234  0.829  0.693  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by La2CoZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(2), and one Zn(2) atom. is represented by the CIF file [CIF]
data_La2ZnCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.471
_cell_length_c   5.473
_cell_angle_alpha   61.433
_cell_angle_beta   61.525
_cell_angle_gamma   61.455
_symmetry_Int_Tables_number   1
_cell_volume   119.577
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.752  0.752  0.751  1.0
  La  La2  1  0.248  0.248  0.249  1.0
  O  O3  1  0.307  0.767  0.171  1.0
  O  O4  1  0.766  0.171  0.307  1.0
  O  O5  1  0.171  0.307  0.766  1.0
  O  O6  1  0.693  0.233  0.829  1.0
  O  O7  1  0.829  0.693  0.234  1.0
  O  O8  1  0.234  0.829  0.693  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
[/CIF]
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