The material structure described by BN3H2S3F4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BN3H2S3F4 cluster. B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one N(3) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to one N(2) and one S(2) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one N(1), one N(3), and one S(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one B(1) and one H(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_BH2S3N3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   7.125
_cell_length_c   10.331
_cell_angle_alpha   87.807
_cell_angle_beta   83.751
_cell_angle_gamma   84.557
_symmetry_Int_Tables_number   1
_cell_volume   428.791
_cell_formula_units_Z   1
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
  B  B0  1  0.566  0.777  0.241  1.0
  H  H1  1  0.765  0.429  0.116  1.0
  H  H2  1  0.796  0.257  0.993  1.0
  S  S3  1  0.869  0.137  0.351  1.0
  S  S4  1  0.037  0.175  0.146  1.0
  S  S5  1  0.178  0.407  0.329  1.0
  N  N6  1  0.222  0.308  0.191  1.0
  N  N7  1  0.983  0.305  0.413  1.0
  N  N8  1  0.852  0.309  0.073  1.0
  F  F9  1  0.362  0.796  0.181  1.0
  F  F10  1  0.669  0.585  0.227  1.0
  F  F11  1  0.526  0.814  0.374  1.0
  F  F12  1  0.725  0.900  0.178  1.0
[/CIF]
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The material structure described by BN3H2S3F4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BN3H2S3F4 cluster. B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one N(3) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to one N(2) and one S(2) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one N(1), one N(3), and one S(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one B(1) and one H(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_BH2S3N3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   7.125
_cell_length_c   10.331
_cell_angle_alpha   87.807
_cell_angle_beta   83.751
_cell_angle_gamma   84.557
_symmetry_Int_Tables_number   1
_cell_volume   428.791
_cell_formula_units_Z   1
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
  B  B0  1  0.566  0.777  0.241  1.0
  H  H1  1  0.765  0.429  0.116  1.0
  H  H2  1  0.796  0.257  0.993  1.0
  S  S3  1  0.869  0.137  0.351  1.0
  S  S4  1  0.037  0.175  0.146  1.0
  S  S5  1  0.178  0.407  0.329  1.0
  N  N6  1  0.222  0.308  0.191  1.0
  N  N7  1  0.983  0.305  0.413  1.0
  N  N8  1  0.852  0.309  0.073  1.0
  F  F9  1  0.362  0.796  0.181  1.0
  F  F10  1  0.669  0.585  0.227  1.0
  F  F11  1  0.526  0.814  0.374  1.0
  F  F12  1  0.725  0.900  0.178  1.0
[/CIF]
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