The material described by CsBC3NO2F9 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 13-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), one C(3), and one N(1) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(1), one F(2), and one F(8) atom to form corner-sharing CBF3 tetrahedra. In the second C site, C(2) is bonded to one B(1), one F(5), one F(6), and one F(7) atom to form corner-sharing CBF3 tetrahedra. In the third C site, C(3) is bonded to one B(1), one F(3), one F(4), and one F(9) atom to form corner-sharing CBF3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. is represented by the CIF card [CIF]
data_CsBC3NO2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.913
_cell_length_c   9.909
_cell_angle_alpha   91.585
_cell_angle_beta   97.232
_cell_angle_gamma   91.724
_symmetry_Int_Tables_number   1
_cell_volume   507.576
_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
  Cs  Cs0  1  0.990  0.264  0.805  1.0
  Cs  Cs1  1  0.010  0.736  0.195  1.0
  B  B2  1  0.618  0.236  0.255  1.0
  B  B3  1  0.382  0.764  0.745  1.0
  C  C4  1  0.255  0.690  0.601  1.0
  C  C5  1  0.745  0.310  0.399  1.0
  C  C6  1  0.569  0.639  0.801  1.0
  C  C7  1  0.431  0.361  0.199  1.0
  C  C8  1  0.476  0.957  0.728  1.0
  C  C9  1  0.524  0.043  0.272  1.0
  N  N10  1  0.220  0.768  0.854  1.0
  N  N11  1  0.780  0.232  0.146  1.0
  O  O12  1  0.140  0.903  0.883  1.0
  O  O13  1  0.176  0.633  0.907  1.0
  O  O14  1  0.824  0.367  0.093  1.0
  O  O15  1  0.860  0.097  0.117  1.0
  F  F16  1  0.084  0.782  0.557  1.0
  F  F17  1  0.373  0.688  0.496  1.0
  F  F18  1  0.636  0.962  0.651  1.0
  F  F19  1  0.554  0.036  0.851  1.0
  F  F20  1  0.627  0.312  0.504  1.0
  F  F21  1  0.488  0.529  0.192  1.0
  F  F22  1  0.512  0.471  0.808  1.0
  F  F23  1  0.364  0.038  0.349  1.0
  F  F24  1  0.342  0.313  0.069  1.0
  F  F25  1  0.728  0.639  0.722  1.0
  F  F26  1  0.272  0.361  0.278  1.0
  F  F27  1  0.658  0.687  0.931  1.0
  F  F28  1  0.821  0.474  0.391  1.0
  F  F29  1  0.667  0.934  0.333  1.0
  F  F30  1  0.446  0.964  0.149  1.0
  F  F31  1  0.916  0.218  0.443  1.0
  F  F32  1  0.333  0.066  0.667  1.0
  F  F33  1  0.179  0.526  0.609  1.0
[/CIF]
.
The material described by CsBC3NO2F9 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 13-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), one C(3), and one N(1) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(1), one F(2), and one F(8) atom to form corner-sharing CBF3 tetrahedra. In the second C site, C(2) is bonded to one B(1), one F(5), one F(6), and one F(7) atom to form corner-sharing CBF3 tetrahedra. In the third C site, C(3) is bonded to one B(1), one F(3), one F(4), and one F(9) atom to form corner-sharing CBF3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. is represented by the CIF card [CIF]
data_CsBC3NO2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.913
_cell_length_c   9.909
_cell_angle_alpha   91.585
_cell_angle_beta   97.232
_cell_angle_gamma   91.724
_symmetry_Int_Tables_number   1
_cell_volume   507.576
_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
  Cs  Cs0  1  0.990  0.264  0.805  1.0
  Cs  Cs1  1  0.010  0.736  0.195  1.0
  B  B2  1  0.618  0.236  0.255  1.0
  B  B3  1  0.382  0.764  0.745  1.0
  C  C4  1  0.255  0.690  0.601  1.0
  C  C5  1  0.745  0.310  0.399  1.0
  C  C6  1  0.569  0.639  0.801  1.0
  C  C7  1  0.431  0.361  0.199  1.0
  C  C8  1  0.476  0.957  0.728  1.0
  C  C9  1  0.524  0.043  0.272  1.0
  N  N10  1  0.220  0.768  0.854  1.0
  N  N11  1  0.780  0.232  0.146  1.0
  O  O12  1  0.140  0.903  0.883  1.0
  O  O13  1  0.176  0.633  0.907  1.0
  O  O14  1  0.824  0.367  0.093  1.0
  O  O15  1  0.860  0.097  0.117  1.0
  F  F16  1  0.084  0.782  0.557  1.0
  F  F17  1  0.373  0.688  0.496  1.0
  F  F18  1  0.636  0.962  0.651  1.0
  F  F19  1  0.554  0.036  0.851  1.0
  F  F20  1  0.627  0.312  0.504  1.0
  F  F21  1  0.488  0.529  0.192  1.0
  F  F22  1  0.512  0.471  0.808  1.0
  F  F23  1  0.364  0.038  0.349  1.0
  F  F24  1  0.342  0.313  0.069  1.0
  F  F25  1  0.728  0.639  0.722  1.0
  F  F26  1  0.272  0.361  0.278  1.0
  F  F27  1  0.658  0.687  0.931  1.0
  F  F28  1  0.821  0.474  0.391  1.0
  F  F29  1  0.667  0.934  0.333  1.0
  F  F30  1  0.446  0.964  0.149  1.0
  F  F31  1  0.916  0.218  0.443  1.0
  F  F32  1  0.333  0.066  0.667  1.0
  F  F33  1  0.179  0.526  0.609  1.0
[/CIF]
.