The crystal structure described by KBC3N3F crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent N(1), two equivalent N(2), two equivalent N(3), and one F(1) atom to form distorted KN6F pentagonal bipyramids that share  a cornercorner with one B(1)C3F tetrahedra and edges with three equivalent K(1)N6F pentagonal bipyramids. B(1) is bonded to one C(1), one C(2), one C(3), and one F(1) atom to form BC3F tetrahedra that share  a cornercorner with one K(1)N6F pentagonal bipyramid. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. In the second C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. In the third C site, C(3) is bonded in a linear geometry to one B(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. F(1) is bonded in a distorted single-bond geometry to one K(1) and one B(1) atom. is represented by the CIF card [CIF]
data_KBC3N3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.744
_cell_length_b   7.545
_cell_length_c   7.933
_cell_angle_alpha   112.218
_cell_angle_beta   106.551
_cell_angle_gamma   88.406
_symmetry_Int_Tables_number   1
_cell_volume   356.757
_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
  K  K0  1  0.336  0.084  0.238  1.0
  K  K1  1  0.664  0.916  0.762  1.0
  B  B2  1  0.134  0.374  0.701  1.0
  B  B3  1  0.866  0.626  0.299  1.0
  C  C4  1  0.279  0.287  0.842  1.0
  C  C5  1  0.721  0.713  0.158  1.0
  C  C6  1  0.102  0.592  0.820  1.0
  C  C7  1  0.898  0.408  0.180  1.0
  C  C8  1  0.911  0.254  0.611  1.0
  C  C9  1  0.089  0.746  0.389  1.0
  N  N10  1  0.383  0.218  0.942  1.0
  N  N11  1  0.617  0.782  0.058  1.0
  N  N12  1  0.077  0.750  0.907  1.0
  N  N13  1  0.923  0.250  0.093  1.0
  N  N14  1  0.749  0.165  0.547  1.0
  N  N15  1  0.251  0.835  0.453  1.0
  F  F16  1  0.223  0.364  0.555  1.0
  F  F17  1  0.777  0.636  0.445  1.0
[/CIF]
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The crystal structure described by KBC3N3F crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent N(1), two equivalent N(2), two equivalent N(3), and one F(1) atom to form distorted KN6F pentagonal bipyramids that share  a cornercorner with one B(1)C3F tetrahedra and edges with three equivalent K(1)N6F pentagonal bipyramids. B(1) is bonded to one C(1), one C(2), one C(3), and one F(1) atom to form BC3F tetrahedra that share  a cornercorner with one K(1)N6F pentagonal bipyramid. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. In the second C site, C(2) is bonded in a linear geometry to one B(1) and one N(2) atom. In the third C site, C(3) is bonded in a linear geometry to one B(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. F(1) is bonded in a distorted single-bond geometry to one K(1) and one B(1) atom. is represented by the CIF card [CIF]
data_KBC3N3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.744
_cell_length_b   7.545
_cell_length_c   7.933
_cell_angle_alpha   112.218
_cell_angle_beta   106.551
_cell_angle_gamma   88.406
_symmetry_Int_Tables_number   1
_cell_volume   356.757
_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
  K  K0  1  0.336  0.084  0.238  1.0
  K  K1  1  0.664  0.916  0.762  1.0
  B  B2  1  0.134  0.374  0.701  1.0
  B  B3  1  0.866  0.626  0.299  1.0
  C  C4  1  0.279  0.287  0.842  1.0
  C  C5  1  0.721  0.713  0.158  1.0
  C  C6  1  0.102  0.592  0.820  1.0
  C  C7  1  0.898  0.408  0.180  1.0
  C  C8  1  0.911  0.254  0.611  1.0
  C  C9  1  0.089  0.746  0.389  1.0
  N  N10  1  0.383  0.218  0.942  1.0
  N  N11  1  0.617  0.782  0.058  1.0
  N  N12  1  0.077  0.750  0.907  1.0
  N  N13  1  0.923  0.250  0.093  1.0
  N  N14  1  0.749  0.165  0.547  1.0
  N  N15  1  0.251  0.835  0.453  1.0
  F  F16  1  0.223  0.364  0.555  1.0
  F  F17  1  0.777  0.636  0.445  1.0
[/CIF]
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