The material structure described by NbSb3O8 crystallizes in the monoclinic Pc space group. Nb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(3) atom. is represented by the CIF file [CIF]
data_NbSb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   4.902
_cell_length_c   12.808
_cell_angle_alpha   67.863
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.999
_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  0.623  0.075  0.424  1.0
  Nb  Nb1  1  0.377  0.075  0.924  1.0
  Sb  Sb2  1  0.880  0.560  0.931  1.0
  Sb  Sb3  1  0.120  0.560  0.431  1.0
  Sb  Sb4  1  0.226  0.369  0.179  1.0
  Sb  Sb5  1  0.282  0.786  0.675  1.0
  Sb  Sb6  1  0.774  0.369  0.679  1.0
  Sb  Sb7  1  0.718  0.786  0.175  1.0
  O  O8  1  0.900  0.578  0.088  1.0
  O  O9  1  0.600  0.748  0.589  1.0
  O  O10  1  0.100  0.578  0.588  1.0
  O  O11  1  0.400  0.748  0.089  1.0
  O  O12  1  0.933  0.560  0.776  1.0
  O  O13  1  0.567  0.389  0.275  1.0
  O  O14  1  0.067  0.560  0.276  1.0
  O  O15  1  0.433  0.389  0.775  1.0
  O  O16  1  0.101  0.904  0.883  1.0
  O  O17  1  0.393  0.828  0.379  1.0
  O  O18  1  0.899  0.904  0.383  1.0
  O  O19  1  0.607  0.828  0.879  1.0
  O  O20  1  0.171  0.315  0.986  1.0
  O  O21  1  0.328  0.214  0.490  1.0
  O  O22  1  0.829  0.315  0.486  1.0
  O  O23  1  0.672  0.214  0.990  1.0
[/CIF]
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The material structure described by NbSb3O8 crystallizes in the monoclinic Pc space group. Nb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(3) atom. is represented by the CIF file [CIF]
data_NbSb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   4.902
_cell_length_c   12.808
_cell_angle_alpha   67.863
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.999
_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  0.623  0.075  0.424  1.0
  Nb  Nb1  1  0.377  0.075  0.924  1.0
  Sb  Sb2  1  0.880  0.560  0.931  1.0
  Sb  Sb3  1  0.120  0.560  0.431  1.0
  Sb  Sb4  1  0.226  0.369  0.179  1.0
  Sb  Sb5  1  0.282  0.786  0.675  1.0
  Sb  Sb6  1  0.774  0.369  0.679  1.0
  Sb  Sb7  1  0.718  0.786  0.175  1.0
  O  O8  1  0.900  0.578  0.088  1.0
  O  O9  1  0.600  0.748  0.589  1.0
  O  O10  1  0.100  0.578  0.588  1.0
  O  O11  1  0.400  0.748  0.089  1.0
  O  O12  1  0.933  0.560  0.776  1.0
  O  O13  1  0.567  0.389  0.275  1.0
  O  O14  1  0.067  0.560  0.276  1.0
  O  O15  1  0.433  0.389  0.775  1.0
  O  O16  1  0.101  0.904  0.883  1.0
  O  O17  1  0.393  0.828  0.379  1.0
  O  O18  1  0.899  0.904  0.383  1.0
  O  O19  1  0.607  0.828  0.879  1.0
  O  O20  1  0.171  0.315  0.986  1.0
  O  O21  1  0.328  0.214  0.490  1.0
  O  O22  1  0.829  0.315  0.486  1.0
  O  O23  1  0.672  0.214  0.990  1.0
[/CIF]
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