The compound described by NbBr5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbBr5 clusters. Nb(1) is bonded in a 4-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), and one Br(5) atom. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.964
_cell_length_b   7.543
_cell_length_c   10.120
_cell_angle_alpha   109.931
_cell_angle_beta   91.125
_cell_angle_gamma   115.974
_symmetry_Int_Tables_number   1
_cell_volume   440.207
_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  0.385  0.498  0.720  1.0
  Nb  Nb1  1  0.615  0.502  0.280  1.0
  Br  Br2  1  0.238  0.723  0.649  1.0
  Br  Br3  1  0.770  0.715  0.458  1.0
  Br  Br4  1  0.762  0.277  0.351  1.0
  Br  Br5  1  0.390  0.261  0.175  1.0
  Br  Br6  1  0.610  0.739  0.825  1.0
  Br  Br7  1  0.449  0.731  0.255  1.0
  Br  Br8  1  0.230  0.285  0.542  1.0
  Br  Br9  1  0.994  0.740  0.076  1.0
  Br  Br10  1  0.006  0.260  0.924  1.0
  Br  Br11  1  0.551  0.269  0.745  1.0
[/CIF]
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The compound described by NbBr5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbBr5 clusters. Nb(1) is bonded in a 4-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), and one Br(5) atom. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.964
_cell_length_b   7.543
_cell_length_c   10.120
_cell_angle_alpha   109.931
_cell_angle_beta   91.125
_cell_angle_gamma   115.974
_symmetry_Int_Tables_number   1
_cell_volume   440.207
_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  0.385  0.498  0.720  1.0
  Nb  Nb1  1  0.615  0.502  0.280  1.0
  Br  Br2  1  0.238  0.723  0.649  1.0
  Br  Br3  1  0.770  0.715  0.458  1.0
  Br  Br4  1  0.762  0.277  0.351  1.0
  Br  Br5  1  0.390  0.261  0.175  1.0
  Br  Br6  1  0.610  0.739  0.825  1.0
  Br  Br7  1  0.449  0.731  0.255  1.0
  Br  Br8  1  0.230  0.285  0.542  1.0
  Br  Br9  1  0.994  0.740  0.076  1.0
  Br  Br10  1  0.006  0.260  0.924  1.0
  Br  Br11  1  0.551  0.269  0.745  1.0
[/CIF]
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