The structure described by NdLa3(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2 space group. Nd(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(7), and four equivalent O(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(5) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent La(2), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ga(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent La(2), one Ga(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1), one La(2), and two equivalent Ga(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Ga(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nd(1), one La(1), one La(2), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_La3Nd(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.510
_cell_length_c   9.670
_cell_angle_alpha   72.986
_cell_angle_beta   72.986
_cell_angle_gamma   60.892
_symmetry_Int_Tables_number   1
_cell_volume   241.271
_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  0.876  0.124  0.000  1.0
  La  La1  1  0.125  0.375  0.251  1.0
  La  La2  1  0.625  0.875  0.749  1.0
  Nd  Nd3  1  0.374  0.626  0.500  1.0
  Ga  Ga4  1  0.750  0.000  0.376  1.0
  Ga  Ga5  1  0.250  0.500  0.874  1.0
  Ga  Ga6  1  1.000  0.250  0.624  1.0
  Ga  Ga7  1  0.500  0.750  0.126  1.0
  O  O8  1  0.950  0.050  0.500  1.0
  O  O9  1  0.443  0.557  0.000  1.0
  O  O10  1  0.090  0.910  0.216  1.0
  O  O11  1  0.589  0.411  0.713  1.0
  O  O12  1  0.589  0.411  0.287  1.0
  O  O13  1  0.090  0.910  0.784  1.0
  O  O14  1  0.409  0.092  0.534  1.0
  O  O15  1  0.908  0.591  0.034  1.0
  O  O16  1  0.908  0.591  0.466  1.0
  O  O17  1  0.409  0.092  0.966  1.0
  O  O18  1  0.555  0.941  0.252  1.0
  O  O19  1  0.059  0.445  0.748  1.0
[/CIF]
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The structure described by NdLa3(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2 space group. Nd(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(7), and four equivalent O(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(5) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent La(2), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ga(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent La(2), one Ga(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1), one La(2), and two equivalent Ga(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Ga(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nd(1), one La(1), one La(2), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_La3Nd(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.510
_cell_length_c   9.670
_cell_angle_alpha   72.986
_cell_angle_beta   72.986
_cell_angle_gamma   60.892
_symmetry_Int_Tables_number   1
_cell_volume   241.271
_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  0.876  0.124  0.000  1.0
  La  La1  1  0.125  0.375  0.251  1.0
  La  La2  1  0.625  0.875  0.749  1.0
  Nd  Nd3  1  0.374  0.626  0.500  1.0
  Ga  Ga4  1  0.750  0.000  0.376  1.0
  Ga  Ga5  1  0.250  0.500  0.874  1.0
  Ga  Ga6  1  1.000  0.250  0.624  1.0
  Ga  Ga7  1  0.500  0.750  0.126  1.0
  O  O8  1  0.950  0.050  0.500  1.0
  O  O9  1  0.443  0.557  0.000  1.0
  O  O10  1  0.090  0.910  0.216  1.0
  O  O11  1  0.589  0.411  0.713  1.0
  O  O12  1  0.589  0.411  0.287  1.0
  O  O13  1  0.090  0.910  0.784  1.0
  O  O14  1  0.409  0.092  0.534  1.0
  O  O15  1  0.908  0.591  0.034  1.0
  O  O16  1  0.908  0.591  0.466  1.0
  O  O17  1  0.409  0.092  0.966  1.0
  O  O18  1  0.555  0.941  0.252  1.0
  O  O19  1  0.059  0.445  0.748  1.0
[/CIF]
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