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 one NbBr5 cluster. Nb(1) is bonded to one Br(1), one Br(3), one Br(4), one Br(5), and two equivalent Br(2) atoms to form edge-sharing NbBr6 octahedra. 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 water-like geometry to two equivalent Nb(1) atoms. 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 single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.706
_cell_length_b   7.286
_cell_length_c   9.845
_cell_angle_alpha   109.167
_cell_angle_beta   90.846
_cell_angle_gamma   116.255
_symmetry_Int_Tables_number   1
_cell_volume   400.180
_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  0.105  0.220  0.722  1.0
  Nb  Nb1  1  0.895  0.780  0.278  1.0
  Br  Br2  1  0.879  0.376  0.648  1.0
  Br  Br3  1  0.239  0.182  0.456  1.0
  Br  Br4  1  0.121  0.624  0.352  1.0
  Br  Br5  1  0.556  0.424  0.170  1.0
  Br  Br6  1  0.444  0.576  0.830  1.0
  Br  Br7  1  0.697  0.990  0.253  1.0
  Br  Br8  1  0.761  0.818  0.544  1.0
  Br  Br9  1  0.074  0.816  0.068  1.0
  Br  Br10  1  0.926  0.184  0.932  1.0
  Br  Br11  1  0.303  0.010  0.747  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 one NbBr5 cluster. Nb(1) is bonded to one Br(1), one Br(3), one Br(4), one Br(5), and two equivalent Br(2) atoms to form edge-sharing NbBr6 octahedra. 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 water-like geometry to two equivalent Nb(1) atoms. 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 single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.706
_cell_length_b   7.286
_cell_length_c   9.845
_cell_angle_alpha   109.167
_cell_angle_beta   90.846
_cell_angle_gamma   116.255
_symmetry_Int_Tables_number   1
_cell_volume   400.180
_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  0.105  0.220  0.722  1.0
  Nb  Nb1  1  0.895  0.780  0.278  1.0
  Br  Br2  1  0.879  0.376  0.648  1.0
  Br  Br3  1  0.239  0.182  0.456  1.0
  Br  Br4  1  0.121  0.624  0.352  1.0
  Br  Br5  1  0.556  0.424  0.170  1.0
  Br  Br6  1  0.444  0.576  0.830  1.0
  Br  Br7  1  0.697  0.990  0.253  1.0
  Br  Br8  1  0.761  0.818  0.544  1.0
  Br  Br9  1  0.074  0.816  0.068  1.0
  Br  Br10  1  0.926  0.184  0.932  1.0
  Br  Br11  1  0.303  0.010  0.747  1.0
[/CIF]
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