The compound described by Nb2Te3O11 crystallizes in the orthorhombic P2_12_12 space group. Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2Te3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   7.819
_cell_length_c   15.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.329
_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  0.747  0.129  0.603  1.0
  Nb  Nb1  1  0.747  0.871  0.397  1.0
  Nb  Nb2  1  0.253  0.629  0.897  1.0
  Nb  Nb3  1  0.253  0.371  0.103  1.0
  Te  Te4  1  0.864  0.000  0.000  1.0
  Te  Te5  1  0.136  0.500  0.500  1.0
  Te  Te6  1  0.141  0.189  0.797  1.0
  Te  Te7  1  0.141  0.811  0.203  1.0
  Te  Te8  1  0.859  0.689  0.703  1.0
  Te  Te9  1  0.859  0.311  0.297  1.0
  O  O10  1  0.843  0.138  0.886  1.0
  O  O11  1  0.843  0.862  0.114  1.0
  O  O12  1  0.157  0.638  0.614  1.0
  O  O13  1  0.157  0.362  0.386  1.0
  O  O14  1  0.785  0.917  0.673  1.0
  O  O15  1  0.785  0.083  0.327  1.0
  O  O16  1  0.215  0.417  0.827  1.0
  O  O17  1  0.215  0.583  0.173  1.0
  O  O18  1  0.804  0.356  0.544  1.0
  O  O19  1  0.804  0.644  0.456  1.0
  O  O20  1  0.703  0.350  0.108  1.0
  O  O21  1  0.703  0.650  0.892  1.0
  O  O22  1  0.297  0.850  0.392  1.0
  O  O23  1  0.297  0.150  0.608  1.0
  O  O24  1  0.191  0.249  0.220  1.0
  O  O25  1  0.191  0.751  0.780  1.0
  O  O26  1  0.809  0.749  0.280  1.0
  O  O27  1  0.809  0.251  0.720  1.0
  O  O28  1  0.200  0.500  0.000  1.0
  O  O29  1  0.800  0.000  0.500  1.0
  O  O30  1  0.196  0.144  0.044  1.0
  O  O31  1  0.196  0.856  0.956  1.0
[/CIF]
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The compound described by Nb2Te3O11 crystallizes in the orthorhombic P2_12_12 space group. Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nb(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2Te3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   7.819
_cell_length_c   15.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.329
_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  0.747  0.129  0.603  1.0
  Nb  Nb1  1  0.747  0.871  0.397  1.0
  Nb  Nb2  1  0.253  0.629  0.897  1.0
  Nb  Nb3  1  0.253  0.371  0.103  1.0
  Te  Te4  1  0.864  0.000  0.000  1.0
  Te  Te5  1  0.136  0.500  0.500  1.0
  Te  Te6  1  0.141  0.189  0.797  1.0
  Te  Te7  1  0.141  0.811  0.203  1.0
  Te  Te8  1  0.859  0.689  0.703  1.0
  Te  Te9  1  0.859  0.311  0.297  1.0
  O  O10  1  0.843  0.138  0.886  1.0
  O  O11  1  0.843  0.862  0.114  1.0
  O  O12  1  0.157  0.638  0.614  1.0
  O  O13  1  0.157  0.362  0.386  1.0
  O  O14  1  0.785  0.917  0.673  1.0
  O  O15  1  0.785  0.083  0.327  1.0
  O  O16  1  0.215  0.417  0.827  1.0
  O  O17  1  0.215  0.583  0.173  1.0
  O  O18  1  0.804  0.356  0.544  1.0
  O  O19  1  0.804  0.644  0.456  1.0
  O  O20  1  0.703  0.350  0.108  1.0
  O  O21  1  0.703  0.650  0.892  1.0
  O  O22  1  0.297  0.850  0.392  1.0
  O  O23  1  0.297  0.150  0.608  1.0
  O  O24  1  0.191  0.249  0.220  1.0
  O  O25  1  0.191  0.751  0.780  1.0
  O  O26  1  0.809  0.749  0.280  1.0
  O  O27  1  0.809  0.251  0.720  1.0
  O  O28  1  0.200  0.500  0.000  1.0
  O  O29  1  0.800  0.000  0.500  1.0
  O  O30  1  0.196  0.144  0.044  1.0
  O  O31  1  0.196  0.856  0.956  1.0
[/CIF]
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