The material structure described by La2NbCrO6 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded to two equivalent La(1), one Nb(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLa2NbCr tetrahedra. is represented by the CIF card [CIF]
data_La2NbCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.745
_cell_length_c   5.745
_cell_angle_alpha   119.784
_cell_angle_beta   119.784
_cell_angle_gamma   90.375
_symmetry_Int_Tables_number   1
_cell_volume   134.508
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.753  0.753  0.000  1.0
  O  O5  1  0.247  0.247  0.000  1.0
  O  O6  1  0.183  0.663  0.846  1.0
  O  O7  1  0.817  0.337  0.154  1.0
  O  O8  1  0.337  0.183  0.520  1.0
  O  O9  1  0.663  0.817  0.480  1.0
[/CIF]
.
The material structure described by La2NbCrO6 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded to two equivalent La(1), one Nb(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLa2NbCr tetrahedra. is represented by the CIF card [CIF]
data_La2NbCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.745
_cell_length_c   5.745
_cell_angle_alpha   119.784
_cell_angle_beta   119.784
_cell_angle_gamma   90.375
_symmetry_Int_Tables_number   1
_cell_volume   134.508
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.753  0.753  0.000  1.0
  O  O5  1  0.247  0.247  0.000  1.0
  O  O6  1  0.183  0.663  0.846  1.0
  O  O7  1  0.817  0.337  0.154  1.0
  O  O8  1  0.337  0.183  0.520  1.0
  O  O9  1  0.663  0.817  0.480  1.0
[/CIF]
.