The crystal structure described by La2TiCrO6 crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_La2TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.523
_cell_length_c   5.523
_cell_angle_alpha   61.714
_cell_angle_beta   61.716
_cell_angle_gamma   61.716
_symmetry_Int_Tables_number   1
_cell_volume   123.730
_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  0.249  0.249  0.249  1.0
  La  La1  1  0.751  0.751  0.751  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.678  0.820  0.253  1.0
  O  O5  1  0.820  0.253  0.678  1.0
  O  O6  1  0.253  0.678  0.820  1.0
  O  O7  1  0.180  0.747  0.322  1.0
  O  O8  1  0.747  0.322  0.180  1.0
  O  O9  1  0.322  0.180  0.747  1.0
[/CIF]
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The crystal structure described by La2TiCrO6 crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. O(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_La2TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.523
_cell_length_c   5.523
_cell_angle_alpha   61.714
_cell_angle_beta   61.716
_cell_angle_gamma   61.716
_symmetry_Int_Tables_number   1
_cell_volume   123.730
_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  0.249  0.249  0.249  1.0
  La  La1  1  0.751  0.751  0.751  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.678  0.820  0.253  1.0
  O  O5  1  0.820  0.253  0.678  1.0
  O  O6  1  0.253  0.678  0.820  1.0
  O  O7  1  0.180  0.747  0.322  1.0
  O  O8  1  0.747  0.322  0.180  1.0
  O  O9  1  0.322  0.180  0.747  1.0
[/CIF]
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