The structure described by NdLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Nd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Nd(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Nd(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Nd(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_La3NdCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   5.574
_cell_length_c   5.575
_cell_angle_alpha   89.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.645
_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  0.000  0.007  0.971  1.0
  La  La1  1  0.500  0.507  0.528  1.0
  La  La2  1  0.500  0.992  0.029  1.0
  Nd  Nd3  1  0.000  0.489  0.463  1.0
  Cr  Cr4  1  0.249  1.000  0.500  1.0
  Cr  Cr5  1  0.751  0.500  0.999  1.0
  Cr  Cr6  1  0.751  1.000  0.500  1.0
  Cr  Cr7  1  0.249  0.500  0.999  1.0
  O  O8  1  0.293  0.784  0.784  1.0
  O  O9  1  0.708  0.718  0.283  1.0
  O  O10  1  0.796  0.221  0.220  1.0
  O  O11  1  0.204  0.285  0.715  1.0
  O  O12  1  0.204  0.221  0.220  1.0
  O  O13  1  0.796  0.285  0.715  1.0
  O  O14  1  0.707  0.784  0.784  1.0
  O  O15  1  0.292  0.718  0.283  1.0
  O  O16  1  0.000  0.580  0.020  1.0
  O  O17  1  0.000  0.912  0.514  1.0
  O  O18  1  0.500  0.419  0.986  1.0
  O  O19  1  0.500  0.080  0.486  1.0
[/CIF]
.
The structure described by NdLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Nd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Nd(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Nd(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Nd(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_La3NdCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   5.574
_cell_length_c   5.575
_cell_angle_alpha   89.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.645
_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  0.000  0.007  0.971  1.0
  La  La1  1  0.500  0.507  0.528  1.0
  La  La2  1  0.500  0.992  0.029  1.0
  Nd  Nd3  1  0.000  0.489  0.463  1.0
  Cr  Cr4  1  0.249  1.000  0.500  1.0
  Cr  Cr5  1  0.751  0.500  0.999  1.0
  Cr  Cr6  1  0.751  1.000  0.500  1.0
  Cr  Cr7  1  0.249  0.500  0.999  1.0
  O  O8  1  0.293  0.784  0.784  1.0
  O  O9  1  0.708  0.718  0.283  1.0
  O  O10  1  0.796  0.221  0.220  1.0
  O  O11  1  0.204  0.285  0.715  1.0
  O  O12  1  0.204  0.221  0.220  1.0
  O  O13  1  0.796  0.285  0.715  1.0
  O  O14  1  0.707  0.784  0.784  1.0
  O  O15  1  0.292  0.718  0.283  1.0
  O  O16  1  0.000  0.580  0.020  1.0
  O  O17  1  0.000  0.912  0.514  1.0
  O  O18  1  0.500  0.419  0.986  1.0
  O  O19  1  0.500  0.080  0.486  1.0
[/CIF]
.