The crystal structure described by LaCrFeO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   5.333
_cell_length_c   9.316
_cell_angle_alpha   55.614
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.663
_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  0.212  0.746  0.246  1.0
  La  La1  1  0.788  0.746  0.746  1.0
  Cr  Cr2  1  0.731  0.502  0.489  1.0
  Cr  Cr3  1  0.269  0.502  0.989  1.0
  Fe  Fe4  1  0.750  0.995  0.993  1.0
  Fe  Fe5  1  0.250  0.995  0.493  1.0
  O  O6  1  0.250  0.779  0.764  1.0
  O  O7  1  0.026  0.270  0.983  1.0
  O  O8  1  0.013  0.705  0.526  1.0
  O  O9  1  0.987  0.705  0.026  1.0
  O  O10  1  0.974  0.270  0.483  1.0
  O  O11  1  0.750  0.779  0.264  1.0
  O  O12  1  0.743  0.204  0.743  1.0
  O  O13  1  0.542  0.734  0.529  1.0
  O  O14  1  0.514  0.305  0.977  1.0
  O  O15  1  0.486  0.305  0.477  1.0
  O  O16  1  0.458  0.734  0.029  1.0
  O  O17  1  0.257  0.204  0.243  1.0
[/CIF]
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The crystal structure described by LaCrFeO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   5.333
_cell_length_c   9.316
_cell_angle_alpha   55.614
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.663
_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  0.212  0.746  0.246  1.0
  La  La1  1  0.788  0.746  0.746  1.0
  Cr  Cr2  1  0.731  0.502  0.489  1.0
  Cr  Cr3  1  0.269  0.502  0.989  1.0
  Fe  Fe4  1  0.750  0.995  0.993  1.0
  Fe  Fe5  1  0.250  0.995  0.493  1.0
  O  O6  1  0.250  0.779  0.764  1.0
  O  O7  1  0.026  0.270  0.983  1.0
  O  O8  1  0.013  0.705  0.526  1.0
  O  O9  1  0.987  0.705  0.026  1.0
  O  O10  1  0.974  0.270  0.483  1.0
  O  O11  1  0.750  0.779  0.264  1.0
  O  O12  1  0.743  0.204  0.743  1.0
  O  O13  1  0.542  0.734  0.529  1.0
  O  O14  1  0.514  0.305  0.977  1.0
  O  O15  1  0.486  0.305  0.477  1.0
  O  O16  1  0.458  0.734  0.029  1.0
  O  O17  1  0.257  0.204  0.243  1.0
[/CIF]
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