The material described by BrF5 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four BrF5 clusters. Br(1) is bonded in a square pyramidal geometry to one F(2), one F(3), one F(4), and two equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Br(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Br(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Br(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Br(1) atom. is represented by the CIF file [CIF]
data_BrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   7.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.850
_symmetry_Int_Tables_number   1
_cell_volume   177.024
_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
  Br  Br0  1  0.831  0.169  0.253  1.0
  Br  Br1  1  0.169  0.831  0.753  1.0
  F  F2  1  0.093  0.468  0.242  1.0
  F  F3  1  0.907  0.532  0.742  1.0
  F  F4  1  0.345  0.655  0.601  1.0
  F  F5  1  0.655  0.345  0.101  1.0
  F  F6  1  0.351  0.649  0.909  1.0
  F  F7  1  0.649  0.351  0.409  1.0
  F  F8  1  0.016  0.984  0.563  1.0
  F  F9  1  0.984  0.016  0.063  1.0
  F  F10  1  0.468  0.093  0.742  1.0
  F  F11  1  0.532  0.907  0.242  1.0
[/CIF]
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The material described by BrF5 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four BrF5 clusters. Br(1) is bonded in a square pyramidal geometry to one F(2), one F(3), one F(4), and two equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Br(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Br(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Br(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Br(1) atom. is represented by the CIF file [CIF]
data_BrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   7.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.850
_symmetry_Int_Tables_number   1
_cell_volume   177.024
_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
  Br  Br0  1  0.831  0.169  0.253  1.0
  Br  Br1  1  0.169  0.831  0.753  1.0
  F  F2  1  0.093  0.468  0.242  1.0
  F  F3  1  0.907  0.532  0.742  1.0
  F  F4  1  0.345  0.655  0.601  1.0
  F  F5  1  0.655  0.345  0.101  1.0
  F  F6  1  0.351  0.649  0.909  1.0
  F  F7  1  0.649  0.351  0.409  1.0
  F  F8  1  0.016  0.984  0.563  1.0
  F  F9  1  0.984  0.016  0.063  1.0
  F  F10  1  0.468  0.093  0.742  1.0
  F  F11  1  0.532  0.907  0.242  1.0
[/CIF]
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