The material described by La2FeCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_La2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.566
_cell_length_c   9.666
_cell_angle_alpha   55.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.315
_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  0.977  0.243  0.751  1.0
  La  La1  1  0.477  0.757  0.749  1.0
  La  La2  1  0.023  0.757  0.249  1.0
  La  La3  1  0.523  0.243  0.251  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.512  0.332  0.744  1.0
  O  O9  1  0.012  0.668  0.756  1.0
  O  O10  1  0.488  0.668  0.256  1.0
  O  O11  1  0.988  0.332  0.244  1.0
  O  O12  1  0.728  0.179  0.541  1.0
  O  O13  1  0.228  0.821  0.959  1.0
  O  O14  1  0.278  0.232  0.042  1.0
  O  O15  1  0.778  0.768  0.458  1.0
  O  O16  1  0.272  0.821  0.459  1.0
  O  O17  1  0.772  0.179  0.041  1.0
  O  O18  1  0.722  0.768  0.958  1.0
  O  O19  1  0.222  0.232  0.542  1.0
[/CIF]
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The material described by La2FeCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_La2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.566
_cell_length_c   9.666
_cell_angle_alpha   55.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.315
_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  0.977  0.243  0.751  1.0
  La  La1  1  0.477  0.757  0.749  1.0
  La  La2  1  0.023  0.757  0.249  1.0
  La  La3  1  0.523  0.243  0.251  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.512  0.332  0.744  1.0
  O  O9  1  0.012  0.668  0.756  1.0
  O  O10  1  0.488  0.668  0.256  1.0
  O  O11  1  0.988  0.332  0.244  1.0
  O  O12  1  0.728  0.179  0.541  1.0
  O  O13  1  0.228  0.821  0.959  1.0
  O  O14  1  0.278  0.232  0.042  1.0
  O  O15  1  0.778  0.768  0.458  1.0
  O  O16  1  0.272  0.821  0.459  1.0
  O  O17  1  0.772  0.179  0.041  1.0
  O  O18  1  0.722  0.768  0.958  1.0
  O  O19  1  0.222  0.232  0.542  1.0
[/CIF]
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