The material structure described by In3NO3 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form InN2O4 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(3)O6 octahedra, and edges with four equivalent In(1)N2O4 octahedra. In the second In site, In(2) is bonded to one N(1) and three equivalent O(1) atoms to form InNO3 tetrahedra that share corners with three equivalent In(3)O6 octahedra and corners with nine equivalent In(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the third In site, In(3) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent In(2)NO3 tetrahedra and edges with six equivalent In(1)N2O4 octahedra. N(1) is bonded to one In(2) and three equivalent In(1) atoms to form distorted corner-sharing NIn4 tetrahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one In(3), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_In3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.598
_cell_length_c   6.598
_cell_angle_alpha   59.324
_cell_angle_beta   59.324
_cell_angle_gamma   59.324
_symmetry_Int_Tables_number   1
_cell_volume   199.958
_cell_formula_units_Z   2
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
  In  In0  1  0.500  0.000  0.500  1.0
  In  In1  1  0.865  0.865  0.865  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.135  0.135  0.135  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.734  0.734  0.734  1.0
  N  N7  1  0.266  0.266  0.266  1.0
  O  O8  1  0.733  0.261  0.261  1.0
  O  O9  1  0.261  0.261  0.733  1.0
  O  O10  1  0.739  0.267  0.739  1.0
  O  O11  1  0.739  0.739  0.267  1.0
  O  O12  1  0.267  0.739  0.739  1.0
  O  O13  1  0.261  0.733  0.261  1.0
[/CIF]
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The material structure described by In3NO3 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form InN2O4 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(3)O6 octahedra, and edges with four equivalent In(1)N2O4 octahedra. In the second In site, In(2) is bonded to one N(1) and three equivalent O(1) atoms to form InNO3 tetrahedra that share corners with three equivalent In(3)O6 octahedra and corners with nine equivalent In(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the third In site, In(3) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent In(2)NO3 tetrahedra and edges with six equivalent In(1)N2O4 octahedra. N(1) is bonded to one In(2) and three equivalent In(1) atoms to form distorted corner-sharing NIn4 tetrahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one In(3), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_In3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.598
_cell_length_c   6.598
_cell_angle_alpha   59.324
_cell_angle_beta   59.324
_cell_angle_gamma   59.324
_symmetry_Int_Tables_number   1
_cell_volume   199.958
_cell_formula_units_Z   2
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
  In  In0  1  0.500  0.000  0.500  1.0
  In  In1  1  0.865  0.865  0.865  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.135  0.135  0.135  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.734  0.734  0.734  1.0
  N  N7  1  0.266  0.266  0.266  1.0
  O  O8  1  0.733  0.261  0.261  1.0
  O  O9  1  0.261  0.261  0.733  1.0
  O  O10  1  0.739  0.267  0.739  1.0
  O  O11  1  0.739  0.739  0.267  1.0
  O  O12  1  0.267  0.739  0.739  1.0
  O  O13  1  0.261  0.733  0.261  1.0
[/CIF]
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