The material described by WBr5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six WBr5 clusters. W(1) is bonded to one Br(1), one Br(2), one Br(6), one Br(7), one Br(8), and one Br(9) atom to form edge-sharing WBr6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(8) is bonded in a single-bond geometry to one W(1) atom. In the second Br site, Br(9) is bonded in a water-like geometry to two equivalent W(1) atoms. In the third Br site, Br(1) is bonded in a single-bond geometry to one W(1) atom. In the fourth Br site, Br(2) is bonded in a single-bond geometry to one W(1) atom. In the fifth Br site, Br(6) is bonded in a water-like geometry to two equivalent W(1) atoms. In the sixth Br site, Br(7) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_WBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.159
_cell_length_b   14.159
_cell_length_c   6.469
_cell_angle_alpha   89.809
_cell_angle_beta   89.809
_cell_angle_gamma   85.779
_symmetry_Int_Tables_number   1
_cell_volume   1293.461
_cell_formula_units_Z   6
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
  W  W0  1  0.440  0.226  0.481  1.0
  W  W1  1  0.774  0.560  0.519  1.0
  W  W2  1  0.560  0.774  0.519  1.0
  W  W3  1  0.226  0.440  0.481  1.0
  W  W4  1  0.107  0.893  0.000  1.0
  W  W5  1  0.893  0.107  0.000  1.0
  Br  Br6  1  0.527  0.333  0.262  1.0
  Br  Br7  1  0.667  0.473  0.738  1.0
  Br  Br8  1  0.473  0.667  0.738  1.0
  Br  Br9  1  0.333  0.527  0.262  1.0
  Br  Br10  1  0.573  0.196  0.715  1.0
  Br  Br11  1  0.804  0.427  0.285  1.0
  Br  Br12  1  0.048  0.048  0.780  1.0
  Br  Br13  1  0.952  0.952  0.220  1.0
  Br  Br14  1  0.862  0.240  0.766  1.0
  Br  Br15  1  0.760  0.138  0.234  1.0
  Br  Br16  1  0.138  0.760  0.234  1.0
  Br  Br17  1  0.240  0.862  0.766  1.0
  Br  Br18  1  0.001  0.192  0.216  1.0
  Br  Br19  1  0.808  0.999  0.784  1.0
  Br  Br20  1  0.999  0.808  0.784  1.0
  Br  Br21  1  0.192  0.001  0.216  1.0
  Br  Br22  1  0.286  0.286  0.264  1.0
  Br  Br23  1  0.714  0.714  0.736  1.0
  Br  Br24  1  0.093  0.471  0.250  1.0
  Br  Br25  1  0.529  0.907  0.750  1.0
  Br  Br26  1  0.907  0.529  0.750  1.0
  Br  Br27  1  0.471  0.093  0.250  1.0
  Br  Br28  1  0.141  0.333  0.701  1.0
  Br  Br29  1  0.667  0.860  0.299  1.0
  Br  Br30  1  0.860  0.667  0.299  1.0
  Br  Br31  1  0.333  0.141  0.701  1.0
  Br  Br32  1  0.381  0.381  0.698  1.0
  Br  Br33  1  0.619  0.619  0.302  1.0
  Br  Br34  1  0.196  0.573  0.715  1.0
  Br  Br35  1  0.427  0.804  0.285  1.0
[/CIF]
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The material described by WBr5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six WBr5 clusters. W(1) is bonded to one Br(1), one Br(2), one Br(6), one Br(7), one Br(8), and one Br(9) atom to form edge-sharing WBr6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(8) is bonded in a single-bond geometry to one W(1) atom. In the second Br site, Br(9) is bonded in a water-like geometry to two equivalent W(1) atoms. In the third Br site, Br(1) is bonded in a single-bond geometry to one W(1) atom. In the fourth Br site, Br(2) is bonded in a single-bond geometry to one W(1) atom. In the fifth Br site, Br(6) is bonded in a water-like geometry to two equivalent W(1) atoms. In the sixth Br site, Br(7) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_WBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.159
_cell_length_b   14.159
_cell_length_c   6.469
_cell_angle_alpha   89.809
_cell_angle_beta   89.809
_cell_angle_gamma   85.779
_symmetry_Int_Tables_number   1
_cell_volume   1293.461
_cell_formula_units_Z   6
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
  W  W0  1  0.440  0.226  0.481  1.0
  W  W1  1  0.774  0.560  0.519  1.0
  W  W2  1  0.560  0.774  0.519  1.0
  W  W3  1  0.226  0.440  0.481  1.0
  W  W4  1  0.107  0.893  0.000  1.0
  W  W5  1  0.893  0.107  0.000  1.0
  Br  Br6  1  0.527  0.333  0.262  1.0
  Br  Br7  1  0.667  0.473  0.738  1.0
  Br  Br8  1  0.473  0.667  0.738  1.0
  Br  Br9  1  0.333  0.527  0.262  1.0
  Br  Br10  1  0.573  0.196  0.715  1.0
  Br  Br11  1  0.804  0.427  0.285  1.0
  Br  Br12  1  0.048  0.048  0.780  1.0
  Br  Br13  1  0.952  0.952  0.220  1.0
  Br  Br14  1  0.862  0.240  0.766  1.0
  Br  Br15  1  0.760  0.138  0.234  1.0
  Br  Br16  1  0.138  0.760  0.234  1.0
  Br  Br17  1  0.240  0.862  0.766  1.0
  Br  Br18  1  0.001  0.192  0.216  1.0
  Br  Br19  1  0.808  0.999  0.784  1.0
  Br  Br20  1  0.999  0.808  0.784  1.0
  Br  Br21  1  0.192  0.001  0.216  1.0
  Br  Br22  1  0.286  0.286  0.264  1.0
  Br  Br23  1  0.714  0.714  0.736  1.0
  Br  Br24  1  0.093  0.471  0.250  1.0
  Br  Br25  1  0.529  0.907  0.750  1.0
  Br  Br26  1  0.907  0.529  0.750  1.0
  Br  Br27  1  0.471  0.093  0.250  1.0
  Br  Br28  1  0.141  0.333  0.701  1.0
  Br  Br29  1  0.667  0.860  0.299  1.0
  Br  Br30  1  0.860  0.667  0.299  1.0
  Br  Br31  1  0.333  0.141  0.701  1.0
  Br  Br32  1  0.381  0.381  0.698  1.0
  Br  Br33  1  0.619  0.619  0.302  1.0
  Br  Br34  1  0.196  0.573  0.715  1.0
  Br  Br35  1  0.427  0.804  0.285  1.0
[/CIF]
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