The compound described by Sb3Nb3O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Nb site, Nb(2) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-49°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(2) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_Nb3Sb3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.565
_cell_length_b   7.565
_cell_length_c   7.577
_cell_angle_alpha   60.301
_cell_angle_beta   60.301
_cell_angle_gamma   59.466
_symmetry_Int_Tables_number   1
_cell_volume   306.718
_cell_formula_units_Z   1
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  0.497  0.995  0.986  1.0
  Nb  Nb1  1  0.995  0.497  0.986  1.0
  Nb  Nb2  1  0.498  0.498  0.515  1.0
  Sb  Sb3  1  0.497  0.497  0.013  1.0
  Sb  Sb4  1  0.012  0.482  0.431  1.0
  Sb  Sb5  1  0.482  0.012  0.431  1.0
  O  O6  1  0.426  0.808  0.954  1.0
  O  O7  1  0.825  0.446  0.335  1.0
  O  O8  1  0.808  0.426  0.954  1.0
  O  O9  1  0.446  0.825  0.335  1.0
  O  O10  1  0.798  0.798  0.964  1.0
  O  O11  1  0.439  0.439  0.324  1.0
  O  O12  1  0.552  0.177  0.104  1.0
  O  O13  1  0.191  0.561  0.697  1.0
  O  O14  1  0.177  0.552  0.104  1.0
  O  O15  1  0.561  0.191  0.697  1.0
  O  O16  1  0.197  0.197  0.060  1.0
  O  O17  1  0.556  0.556  0.708  1.0
  O  O18  1  0.169  0.169  0.525  1.0
[/CIF]
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The compound described by Sb3Nb3O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Nb site, Nb(2) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-49°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(2) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_Nb3Sb3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.565
_cell_length_b   7.565
_cell_length_c   7.577
_cell_angle_alpha   60.301
_cell_angle_beta   60.301
_cell_angle_gamma   59.466
_symmetry_Int_Tables_number   1
_cell_volume   306.718
_cell_formula_units_Z   1
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  0.497  0.995  0.986  1.0
  Nb  Nb1  1  0.995  0.497  0.986  1.0
  Nb  Nb2  1  0.498  0.498  0.515  1.0
  Sb  Sb3  1  0.497  0.497  0.013  1.0
  Sb  Sb4  1  0.012  0.482  0.431  1.0
  Sb  Sb5  1  0.482  0.012  0.431  1.0
  O  O6  1  0.426  0.808  0.954  1.0
  O  O7  1  0.825  0.446  0.335  1.0
  O  O8  1  0.808  0.426  0.954  1.0
  O  O9  1  0.446  0.825  0.335  1.0
  O  O10  1  0.798  0.798  0.964  1.0
  O  O11  1  0.439  0.439  0.324  1.0
  O  O12  1  0.552  0.177  0.104  1.0
  O  O13  1  0.191  0.561  0.697  1.0
  O  O14  1  0.177  0.552  0.104  1.0
  O  O15  1  0.561  0.191  0.697  1.0
  O  O16  1  0.197  0.197  0.060  1.0
  O  O17  1  0.556  0.556  0.708  1.0
  O  O18  1  0.169  0.169  0.525  1.0
[/CIF]
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