The compound described by Ga3NO3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(2), one O(2), and two equivalent O(1) atoms to form corner-sharing GaNO3 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one O(3), and two equivalent O(1) atoms to form corner-sharing GaNO3 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(2), one O(1), one O(3), and one O(4) atom to form corner-sharing GaNO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to three equivalent Ga(2) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1), one Ga(2), and one Ga(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ga(3) atoms. is represented by the CIF file [CIF]
data_Ga3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.243
_cell_length_b   8.243
_cell_length_c   6.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   374.601
_cell_formula_units_Z   4
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  0.505  0.434  0.500  1.0
  Ga  Ga1  1  0.510  0.431  0.000  1.0
  Ga  Ga2  1  0.566  0.071  0.500  1.0
  Ga  Ga3  1  0.569  0.079  0.000  1.0
  Ga  Ga4  1  0.921  0.490  0.000  1.0
  Ga  Ga5  1  0.929  0.495  0.500  1.0
  Ga  Ga6  1  0.737  0.832  0.257  1.0
  Ga  Ga7  1  0.737  0.832  0.743  1.0
  Ga  Ga8  1  0.095  0.263  0.257  1.0
  Ga  Ga9  1  0.095  0.263  0.743  1.0
  Ga  Ga10  1  0.168  0.905  0.743  1.0
  Ga  Ga11  1  0.168  0.905  0.257  1.0
  N  N12  1  0.667  0.333  0.000  1.0
  N  N13  1  0.669  0.692  0.500  1.0
  N  N14  1  0.023  0.331  0.500  1.0
  N  N15  1  0.308  0.977  0.500  1.0
  O  O16  1  0.360  0.362  0.246  1.0
  O  O17  1  0.360  0.362  0.754  1.0
  O  O18  1  0.667  0.333  0.500  1.0
  O  O19  1  0.638  0.998  0.246  1.0
  O  O20  1  0.638  0.998  0.754  1.0
  O  O21  1  0.002  0.640  0.754  1.0
  O  O22  1  0.002  0.640  0.246  1.0
  O  O23  1  0.657  0.700  0.000  1.0
  O  O24  1  0.043  0.343  0.000  1.0
  O  O25  1  0.000  0.000  0.768  1.0
  O  O26  1  0.000  0.000  0.232  1.0
  O  O27  1  0.300  0.957  0.000  1.0
[/CIF]
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The compound described by Ga3NO3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(2), one O(2), and two equivalent O(1) atoms to form corner-sharing GaNO3 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one O(3), and two equivalent O(1) atoms to form corner-sharing GaNO3 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(2), one O(1), one O(3), and one O(4) atom to form corner-sharing GaNO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to three equivalent Ga(2) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1), one Ga(2), and one Ga(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ga(3) atoms. is represented by the CIF file [CIF]
data_Ga3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.243
_cell_length_b   8.243
_cell_length_c   6.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   374.601
_cell_formula_units_Z   4
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  0.505  0.434  0.500  1.0
  Ga  Ga1  1  0.510  0.431  0.000  1.0
  Ga  Ga2  1  0.566  0.071  0.500  1.0
  Ga  Ga3  1  0.569  0.079  0.000  1.0
  Ga  Ga4  1  0.921  0.490  0.000  1.0
  Ga  Ga5  1  0.929  0.495  0.500  1.0
  Ga  Ga6  1  0.737  0.832  0.257  1.0
  Ga  Ga7  1  0.737  0.832  0.743  1.0
  Ga  Ga8  1  0.095  0.263  0.257  1.0
  Ga  Ga9  1  0.095  0.263  0.743  1.0
  Ga  Ga10  1  0.168  0.905  0.743  1.0
  Ga  Ga11  1  0.168  0.905  0.257  1.0
  N  N12  1  0.667  0.333  0.000  1.0
  N  N13  1  0.669  0.692  0.500  1.0
  N  N14  1  0.023  0.331  0.500  1.0
  N  N15  1  0.308  0.977  0.500  1.0
  O  O16  1  0.360  0.362  0.246  1.0
  O  O17  1  0.360  0.362  0.754  1.0
  O  O18  1  0.667  0.333  0.500  1.0
  O  O19  1  0.638  0.998  0.246  1.0
  O  O20  1  0.638  0.998  0.754  1.0
  O  O21  1  0.002  0.640  0.754  1.0
  O  O22  1  0.002  0.640  0.246  1.0
  O  O23  1  0.657  0.700  0.000  1.0
  O  O24  1  0.043  0.343  0.000  1.0
  O  O25  1  0.000  0.000  0.768  1.0
  O  O26  1  0.000  0.000  0.232  1.0
  O  O27  1  0.300  0.957  0.000  1.0
[/CIF]
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