The material structure described by Bi2InNbO7 crystallizes in the orthorhombic Imma space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(4)Bi4 tetrahedra, corners with four equivalent O(2)In2Bi2 tetrahedra, and  an edgeedge with one O(4)Bi4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(1), one In(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(2)In2Bi2 tetrahedra, corners with four equivalent O(4)Bi4 tetrahedra, and  an edgeedge with one O(2)In2Bi2 tetrahedra. is represented by the CIF file [CIF]
data_NbInBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   7.632
_cell_angle_alpha   120.560
_cell_angle_beta   119.786
_cell_angle_gamma   89.701
_symmetry_Int_Tables_number   1
_cell_volume   313.461
_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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.500  0.000  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.500  1.0
  Bi  Bi5  1  0.000  0.500  0.000  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.799  0.549  0.250  1.0
  O  O9  1  0.399  0.149  0.250  1.0
  O  O10  1  0.849  0.177  0.279  1.0
  O  O11  1  0.399  0.571  0.221  1.0
  O  O12  1  0.849  0.571  0.672  1.0
  O  O13  1  0.399  0.177  0.828  1.0
  O  O14  1  0.201  0.451  0.750  1.0
  O  O15  1  0.601  0.851  0.750  1.0
  O  O16  1  0.151  0.823  0.721  1.0
  O  O17  1  0.601  0.429  0.779  1.0
  O  O18  1  0.151  0.429  0.328  1.0
  O  O19  1  0.601  0.823  0.172  1.0
  O  O20  1  0.120  0.870  0.250  1.0
  O  O21  1  0.880  0.130  0.750  1.0
[/CIF]
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The material structure described by Bi2InNbO7 crystallizes in the orthorhombic Imma space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(4)Bi4 tetrahedra, corners with four equivalent O(2)In2Bi2 tetrahedra, and  an edgeedge with one O(4)Bi4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(1), one In(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(2)In2Bi2 tetrahedra, corners with four equivalent O(4)Bi4 tetrahedra, and  an edgeedge with one O(2)In2Bi2 tetrahedra. is represented by the CIF file [CIF]
data_NbInBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   7.632
_cell_angle_alpha   120.560
_cell_angle_beta   119.786
_cell_angle_gamma   89.701
_symmetry_Int_Tables_number   1
_cell_volume   313.461
_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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.500  0.000  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.500  1.0
  Bi  Bi5  1  0.000  0.500  0.000  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.799  0.549  0.250  1.0
  O  O9  1  0.399  0.149  0.250  1.0
  O  O10  1  0.849  0.177  0.279  1.0
  O  O11  1  0.399  0.571  0.221  1.0
  O  O12  1  0.849  0.571  0.672  1.0
  O  O13  1  0.399  0.177  0.828  1.0
  O  O14  1  0.201  0.451  0.750  1.0
  O  O15  1  0.601  0.851  0.750  1.0
  O  O16  1  0.151  0.823  0.721  1.0
  O  O17  1  0.601  0.429  0.779  1.0
  O  O18  1  0.151  0.429  0.328  1.0
  O  O19  1  0.601  0.823  0.172  1.0
  O  O20  1  0.120  0.870  0.250  1.0
  O  O21  1  0.880  0.130  0.750  1.0
[/CIF]
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