The compound described by As(BrF2)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one As(BrF2)3 cluster. As(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to one Br(2) and one F(3) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one Br(1) and one Br(3) atom. In the third Br site, Br(3) is bonded in a distorted linear geometry to one Br(2) and one F(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) and one Br(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one As(1) and one Br(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_As(BrF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   7.659
_cell_length_c   9.787
_cell_angle_alpha   87.589
_cell_angle_beta   81.203
_cell_angle_gamma   80.294
_symmetry_Int_Tables_number   1
_cell_volume   396.536
_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
  As  As0  1  0.430  0.783  0.804  1.0
  As  As1  1  0.570  0.217  0.196  1.0
  Br  Br2  1  0.080  0.385  0.823  1.0
  Br  Br3  1  0.920  0.615  0.177  1.0
  Br  Br4  1  0.810  0.198  0.783  1.0
  Br  Br5  1  0.190  0.802  0.217  1.0
  Br  Br6  1  0.202  0.769  0.452  1.0
  Br  Br7  1  0.798  0.231  0.548  1.0
  F  F8  1  0.335  0.206  0.098  1.0
  F  F9  1  0.665  0.794  0.902  1.0
  F  F10  1  0.353  0.308  0.333  1.0
  F  F11  1  0.647  0.692  0.667  1.0
  F  F12  1  0.599  0.432  0.130  1.0
  F  F13  1  0.401  0.568  0.870  1.0
  F  F14  1  0.553  0.003  0.263  1.0
  F  F15  1  0.447  0.997  0.737  1.0
  F  F16  1  0.184  0.771  0.707  1.0
  F  F17  1  0.816  0.229  0.293  1.0
  F  F18  1  0.200  0.871  0.939  1.0
  F  F19  1  0.800  0.129  0.061  1.0
[/CIF]
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The compound described by As(BrF2)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one As(BrF2)3 cluster. As(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to one Br(2) and one F(3) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one Br(1) and one Br(3) atom. In the third Br site, Br(3) is bonded in a distorted linear geometry to one Br(2) and one F(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) and one Br(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one As(1) and one Br(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_As(BrF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   7.659
_cell_length_c   9.787
_cell_angle_alpha   87.589
_cell_angle_beta   81.203
_cell_angle_gamma   80.294
_symmetry_Int_Tables_number   1
_cell_volume   396.536
_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
  As  As0  1  0.430  0.783  0.804  1.0
  As  As1  1  0.570  0.217  0.196  1.0
  Br  Br2  1  0.080  0.385  0.823  1.0
  Br  Br3  1  0.920  0.615  0.177  1.0
  Br  Br4  1  0.810  0.198  0.783  1.0
  Br  Br5  1  0.190  0.802  0.217  1.0
  Br  Br6  1  0.202  0.769  0.452  1.0
  Br  Br7  1  0.798  0.231  0.548  1.0
  F  F8  1  0.335  0.206  0.098  1.0
  F  F9  1  0.665  0.794  0.902  1.0
  F  F10  1  0.353  0.308  0.333  1.0
  F  F11  1  0.647  0.692  0.667  1.0
  F  F12  1  0.599  0.432  0.130  1.0
  F  F13  1  0.401  0.568  0.870  1.0
  F  F14  1  0.553  0.003  0.263  1.0
  F  F15  1  0.447  0.997  0.737  1.0
  F  F16  1  0.184  0.771  0.707  1.0
  F  F17  1  0.816  0.229  0.293  1.0
  F  F18  1  0.200  0.871  0.939  1.0
  F  F19  1  0.800  0.129  0.061  1.0
[/CIF]
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