The material described by NbIn(TeO4)2 crystallizes in the orthorhombic Pca2_1 space group. Nb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. In(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(6), one O(8), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent In(1) and one Te(1) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to two equivalent In(1), one Te(1), and one Te(2) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one In(1) and two equivalent Te(2) atoms. In the fourth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent In(1) and one Te(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_NbIn(TeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.811
_cell_length_b   7.812
_cell_length_c   11.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   673.937
_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
  Nb  Nb0  1  0.531  0.520  1.000  1.0
  Nb  Nb1  1  0.469  0.020  0.000  1.0
  Nb  Nb2  1  0.969  0.020  1.000  1.0
  Nb  Nb3  1  0.031  0.520  0.000  1.0
  In  In4  1  0.496  0.526  0.513  1.0
  In  In5  1  0.504  0.026  0.487  1.0
  In  In6  1  0.004  0.026  0.513  1.0
  In  In7  1  0.996  0.526  0.487  1.0
  Te  Te8  1  0.791  0.672  0.753  1.0
  Te  Te9  1  0.209  0.172  0.247  1.0
  Te  Te10  1  0.709  0.172  0.753  1.0
  Te  Te11  1  0.291  0.672  0.247  1.0
  Te  Te12  1  0.264  0.766  0.713  1.0
  Te  Te13  1  0.736  0.266  0.287  1.0
  Te  Te14  1  0.236  0.266  0.713  1.0
  Te  Te15  1  0.764  0.766  0.287  1.0
  O  O16  1  0.583  0.593  0.828  1.0
  O  O17  1  0.417  0.093  0.172  1.0
  O  O18  1  0.917  0.093  0.828  1.0
  O  O19  1  0.083  0.593  0.172  1.0
  O  O20  1  0.520  0.284  0.963  1.0
  O  O21  1  0.480  0.784  0.037  1.0
  O  O22  1  0.980  0.784  0.963  1.0
  O  O23  1  0.020  0.284  0.037  1.0
  O  O24  1  0.756  0.533  0.052  1.0
  O  O25  1  0.244  0.033  0.948  1.0
  O  O26  1  0.744  0.033  0.052  1.0
  O  O27  1  0.256  0.533  0.948  1.0
  O  O28  1  0.931  0.498  0.824  1.0
  O  O29  1  0.069  0.998  0.176  1.0
  O  O30  1  0.569  0.998  0.824  1.0
  O  O31  1  0.431  0.498  0.176  1.0
  O  O32  1  0.748  0.543  0.604  1.0
  O  O33  1  0.252  0.043  0.396  1.0
  O  O34  1  0.752  0.043  0.604  1.0
  O  O35  1  0.248  0.543  0.396  1.0
  O  O36  1  0.053  0.726  0.625  1.0
  O  O37  1  0.947  0.226  0.375  1.0
  O  O38  1  0.447  0.226  0.625  1.0
  O  O39  1  0.553  0.726  0.375  1.0
  O  O40  1  0.314  0.515  0.662  1.0
  O  O41  1  0.686  0.015  0.338  1.0
  O  O42  1  0.186  0.015  0.662  1.0
  O  O43  1  0.814  0.515  0.338  1.0
  O  O44  1  0.437  0.797  0.590  1.0
  O  O45  1  0.563  0.297  0.410  1.0
  O  O46  1  0.063  0.297  0.590  1.0
  O  O47  1  0.937  0.797  0.410  1.0
[/CIF]
.
The material described by NbIn(TeO4)2 crystallizes in the orthorhombic Pca2_1 space group. Nb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. In(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(6), one O(8), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent In(1) and one Te(1) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to two equivalent In(1), one Te(1), and one Te(2) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one In(1) and two equivalent Te(2) atoms. In the fourth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent In(1) and one Te(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_NbIn(TeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.811
_cell_length_b   7.812
_cell_length_c   11.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   673.937
_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
  Nb  Nb0  1  0.531  0.520  1.000  1.0
  Nb  Nb1  1  0.469  0.020  0.000  1.0
  Nb  Nb2  1  0.969  0.020  1.000  1.0
  Nb  Nb3  1  0.031  0.520  0.000  1.0
  In  In4  1  0.496  0.526  0.513  1.0
  In  In5  1  0.504  0.026  0.487  1.0
  In  In6  1  0.004  0.026  0.513  1.0
  In  In7  1  0.996  0.526  0.487  1.0
  Te  Te8  1  0.791  0.672  0.753  1.0
  Te  Te9  1  0.209  0.172  0.247  1.0
  Te  Te10  1  0.709  0.172  0.753  1.0
  Te  Te11  1  0.291  0.672  0.247  1.0
  Te  Te12  1  0.264  0.766  0.713  1.0
  Te  Te13  1  0.736  0.266  0.287  1.0
  Te  Te14  1  0.236  0.266  0.713  1.0
  Te  Te15  1  0.764  0.766  0.287  1.0
  O  O16  1  0.583  0.593  0.828  1.0
  O  O17  1  0.417  0.093  0.172  1.0
  O  O18  1  0.917  0.093  0.828  1.0
  O  O19  1  0.083  0.593  0.172  1.0
  O  O20  1  0.520  0.284  0.963  1.0
  O  O21  1  0.480  0.784  0.037  1.0
  O  O22  1  0.980  0.784  0.963  1.0
  O  O23  1  0.020  0.284  0.037  1.0
  O  O24  1  0.756  0.533  0.052  1.0
  O  O25  1  0.244  0.033  0.948  1.0
  O  O26  1  0.744  0.033  0.052  1.0
  O  O27  1  0.256  0.533  0.948  1.0
  O  O28  1  0.931  0.498  0.824  1.0
  O  O29  1  0.069  0.998  0.176  1.0
  O  O30  1  0.569  0.998  0.824  1.0
  O  O31  1  0.431  0.498  0.176  1.0
  O  O32  1  0.748  0.543  0.604  1.0
  O  O33  1  0.252  0.043  0.396  1.0
  O  O34  1  0.752  0.043  0.604  1.0
  O  O35  1  0.248  0.543  0.396  1.0
  O  O36  1  0.053  0.726  0.625  1.0
  O  O37  1  0.947  0.226  0.375  1.0
  O  O38  1  0.447  0.226  0.625  1.0
  O  O39  1  0.553  0.726  0.375  1.0
  O  O40  1  0.314  0.515  0.662  1.0
  O  O41  1  0.686  0.015  0.338  1.0
  O  O42  1  0.186  0.015  0.662  1.0
  O  O43  1  0.814  0.515  0.338  1.0
  O  O44  1  0.437  0.797  0.590  1.0
  O  O45  1  0.563  0.297  0.410  1.0
  O  O46  1  0.063  0.297  0.590  1.0
  O  O47  1  0.937  0.797  0.410  1.0
[/CIF]
.