The material described by La2NiGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2GaNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.460
_cell_length_c   5.544
_cell_angle_alpha   118.887
_cell_angle_beta   90.087
_cell_angle_gamma   118.713
_symmetry_Int_Tables_number   1
_cell_volume   120.435
_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
  Ga  Ga0  1  0.500  1.000  0.500  1.0
  La  La1  1  0.255  0.509  0.760  1.0
  La  La2  1  0.745  0.491  0.240  1.0
  Ni  Ni3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.693  0.923  0.184  1.0
  O  O5  1  0.268  0.522  0.335  1.0
  O  O6  1  0.819  0.090  0.782  1.0
  O  O7  1  0.732  0.478  0.665  1.0
  O  O8  1  0.181  0.910  0.218  1.0
  O  O9  1  0.307  0.077  0.817  1.0
[/CIF]
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The material described by La2NiGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent La(1), one Ni(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2GaNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.460
_cell_length_c   5.544
_cell_angle_alpha   118.887
_cell_angle_beta   90.087
_cell_angle_gamma   118.713
_symmetry_Int_Tables_number   1
_cell_volume   120.435
_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
  Ga  Ga0  1  0.500  1.000  0.500  1.0
  La  La1  1  0.255  0.509  0.760  1.0
  La  La2  1  0.745  0.491  0.240  1.0
  Ni  Ni3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.693  0.923  0.184  1.0
  O  O5  1  0.268  0.522  0.335  1.0
  O  O6  1  0.819  0.090  0.782  1.0
  O  O7  1  0.732  0.478  0.665  1.0
  O  O8  1  0.181  0.910  0.218  1.0
  O  O9  1  0.307  0.077  0.817  1.0
[/CIF]
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