The crystal structure described by In3NO3 is Spinel-like structured and crystallizes in the orthorhombic Ima2 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form InN2O4 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(1)N2O4 octahedra, and edges with four equivalent In(3)NO5 octahedra. In the second In site, In(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form InNO3 tetrahedra that share corners with six equivalent In(1)N2O4 octahedra and corners with six equivalent In(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third In site, In(3) is bonded to one N(1), one O(1), and four equivalent O(2) atoms to form InNO5 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(3)NO5 octahedra, and edges with four equivalent In(1)N2O4 octahedra. N(1) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form distorted corner-sharing NIn4 trigonal pyramids. There are two inequivalent O sites. In the first O site, 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. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one In(1), one In(2), and two equivalent In(3) atoms. is represented by the CIF file [CIF]
data_In3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   119.994
_cell_angle_beta   119.653
_cell_angle_gamma   90.306
_symmetry_Int_Tables_number   1
_cell_volume   200.389
_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  0.991  0.000  0.991  1.0
  In  In1  1  0.396  0.634  0.262  1.0
  In  In2  1  0.991  0.500  0.491  1.0
  In  In3  1  0.628  0.366  0.762  1.0
  In  In4  1  0.502  0.003  0.999  1.0
  In  In5  1  0.996  0.997  0.499  1.0
  N  N6  1  0.788  0.764  0.524  1.0
  N  N7  1  0.760  0.236  0.024  1.0
  O  O8  1  0.246  0.762  0.984  1.0
  O  O9  1  0.247  0.758  0.513  1.0
  O  O10  1  0.755  0.767  0.013  1.0
  O  O11  1  0.755  0.242  0.489  1.0
  O  O12  1  0.222  0.238  0.484  1.0
  O  O13  1  0.247  0.233  0.989  1.0
[/CIF]
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The crystal structure described by In3NO3 is Spinel-like structured and crystallizes in the orthorhombic Ima2 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form InN2O4 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(1)N2O4 octahedra, and edges with four equivalent In(3)NO5 octahedra. In the second In site, In(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form InNO3 tetrahedra that share corners with six equivalent In(1)N2O4 octahedra and corners with six equivalent In(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third In site, In(3) is bonded to one N(1), one O(1), and four equivalent O(2) atoms to form InNO5 octahedra that share corners with six equivalent In(2)NO3 tetrahedra, edges with two equivalent In(3)NO5 octahedra, and edges with four equivalent In(1)N2O4 octahedra. N(1) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form distorted corner-sharing NIn4 trigonal pyramids. There are two inequivalent O sites. In the first O site, 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. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one In(1), one In(2), and two equivalent In(3) atoms. is represented by the CIF file [CIF]
data_In3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   119.994
_cell_angle_beta   119.653
_cell_angle_gamma   90.306
_symmetry_Int_Tables_number   1
_cell_volume   200.389
_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  0.991  0.000  0.991  1.0
  In  In1  1  0.396  0.634  0.262  1.0
  In  In2  1  0.991  0.500  0.491  1.0
  In  In3  1  0.628  0.366  0.762  1.0
  In  In4  1  0.502  0.003  0.999  1.0
  In  In5  1  0.996  0.997  0.499  1.0
  N  N6  1  0.788  0.764  0.524  1.0
  N  N7  1  0.760  0.236  0.024  1.0
  O  O8  1  0.246  0.762  0.984  1.0
  O  O9  1  0.247  0.758  0.513  1.0
  O  O10  1  0.755  0.767  0.013  1.0
  O  O11  1  0.755  0.242  0.489  1.0
  O  O12  1  0.222  0.238  0.484  1.0
  O  O13  1  0.247  0.233  0.989  1.0
[/CIF]
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