The material structure described by InNbO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with eight equivalent In(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_NbInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   5.185
_cell_length_c   5.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.860
_symmetry_Int_Tables_number   1
_cell_volume   147.455
_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
  Nb  Nb0  1  0.000  0.750  0.179  1.0
  Nb  Nb1  1  0.000  0.250  0.821  1.0
  In  In2  1  0.500  0.750  0.681  1.0
  In  In3  1  0.500  0.250  0.319  1.0
  O  O4  1  0.261  0.403  0.617  1.0
  O  O5  1  0.739  0.097  0.617  1.0
  O  O6  1  0.739  0.597  0.383  1.0
  O  O7  1  0.261  0.903  0.383  1.0
  O  O8  1  0.216  0.437  0.103  1.0
  O  O9  1  0.784  0.063  0.103  1.0
  O  O10  1  0.784  0.563  0.897  1.0
  O  O11  1  0.216  0.937  0.897  1.0
[/CIF]
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The material structure described by InNbO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with eight equivalent In(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_NbInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   5.185
_cell_length_c   5.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.860
_symmetry_Int_Tables_number   1
_cell_volume   147.455
_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
  Nb  Nb0  1  0.000  0.750  0.179  1.0
  Nb  Nb1  1  0.000  0.250  0.821  1.0
  In  In2  1  0.500  0.750  0.681  1.0
  In  In3  1  0.500  0.250  0.319  1.0
  O  O4  1  0.261  0.403  0.617  1.0
  O  O5  1  0.739  0.097  0.617  1.0
  O  O6  1  0.739  0.597  0.383  1.0
  O  O7  1  0.261  0.903  0.383  1.0
  O  O8  1  0.216  0.437  0.103  1.0
  O  O9  1  0.784  0.063  0.103  1.0
  O  O10  1  0.784  0.563  0.897  1.0
  O  O11  1  0.216  0.937  0.897  1.0
[/CIF]
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