The structure described by KBCF6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. B(1) is bonded in a tetrahedral geometry to one C(1), one F(2), one F(5), and one F(6) atom. C(1) is bonded in a tetrahedral geometry to one B(1), one F(1), one F(3), and one F(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent K(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one K(1) and one C(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one C(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one B(1) atom. is represented by the CIF file [CIF]
data_KBCF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.590
_cell_length_b   4.914
_cell_length_c   6.438
_cell_angle_alpha   78.013
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.415
_cell_formula_units_Z   4
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  0.655  0.180  0.280  1.0
  K  K1  1  0.155  0.820  0.220  1.0
  K  K2  1  0.345  0.820  0.720  1.0
  K  K3  1  0.845  0.180  0.780  1.0
  B  B4  1  0.339  0.286  0.152  1.0
  B  B5  1  0.661  0.714  0.848  1.0
  B  B6  1  0.161  0.286  0.652  1.0
  B  B7  1  0.839  0.714  0.348  1.0
  C  C8  1  0.582  0.614  0.727  1.0
  C  C9  1  0.418  0.386  0.273  1.0
  C  C10  1  0.918  0.614  0.227  1.0
  C  C11  1  0.082  0.386  0.773  1.0
  F  F12  1  0.400  0.414  0.480  1.0
  F  F13  1  0.600  0.586  0.520  1.0
  F  F14  1  0.282  0.506  0.110  1.0
  F  F15  1  0.100  0.414  0.980  1.0
  F  F16  1  0.481  0.199  0.297  1.0
  F  F17  1  0.551  0.363  0.827  1.0
  F  F18  1  0.949  0.363  0.327  1.0
  F  F19  1  0.718  0.494  0.890  1.0
  F  F20  1  0.196  0.048  0.785  1.0
  F  F21  1  0.364  0.224  0.956  1.0
  F  F22  1  0.864  0.776  0.544  1.0
  F  F23  1  0.449  0.637  0.173  1.0
  F  F24  1  0.804  0.952  0.215  1.0
  F  F25  1  0.019  0.199  0.797  1.0
  F  F26  1  0.636  0.776  0.044  1.0
  F  F27  1  0.900  0.586  0.020  1.0
  F  F28  1  0.136  0.224  0.456  1.0
  F  F29  1  0.782  0.494  0.390  1.0
  F  F30  1  0.696  0.952  0.715  1.0
  F  F31  1  0.304  0.048  0.285  1.0
  F  F32  1  0.519  0.801  0.703  1.0
  F  F33  1  0.051  0.637  0.673  1.0
  F  F34  1  0.218  0.506  0.610  1.0
  F  F35  1  0.981  0.801  0.203  1.0
[/CIF]
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The structure described by KBCF6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. B(1) is bonded in a tetrahedral geometry to one C(1), one F(2), one F(5), and one F(6) atom. C(1) is bonded in a tetrahedral geometry to one B(1), one F(1), one F(3), and one F(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent K(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one K(1) and one C(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one C(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one B(1) atom. is represented by the CIF file [CIF]
data_KBCF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.590
_cell_length_b   4.914
_cell_length_c   6.438
_cell_angle_alpha   78.013
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.415
_cell_formula_units_Z   4
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  0.655  0.180  0.280  1.0
  K  K1  1  0.155  0.820  0.220  1.0
  K  K2  1  0.345  0.820  0.720  1.0
  K  K3  1  0.845  0.180  0.780  1.0
  B  B4  1  0.339  0.286  0.152  1.0
  B  B5  1  0.661  0.714  0.848  1.0
  B  B6  1  0.161  0.286  0.652  1.0
  B  B7  1  0.839  0.714  0.348  1.0
  C  C8  1  0.582  0.614  0.727  1.0
  C  C9  1  0.418  0.386  0.273  1.0
  C  C10  1  0.918  0.614  0.227  1.0
  C  C11  1  0.082  0.386  0.773  1.0
  F  F12  1  0.400  0.414  0.480  1.0
  F  F13  1  0.600  0.586  0.520  1.0
  F  F14  1  0.282  0.506  0.110  1.0
  F  F15  1  0.100  0.414  0.980  1.0
  F  F16  1  0.481  0.199  0.297  1.0
  F  F17  1  0.551  0.363  0.827  1.0
  F  F18  1  0.949  0.363  0.327  1.0
  F  F19  1  0.718  0.494  0.890  1.0
  F  F20  1  0.196  0.048  0.785  1.0
  F  F21  1  0.364  0.224  0.956  1.0
  F  F22  1  0.864  0.776  0.544  1.0
  F  F23  1  0.449  0.637  0.173  1.0
  F  F24  1  0.804  0.952  0.215  1.0
  F  F25  1  0.019  0.199  0.797  1.0
  F  F26  1  0.636  0.776  0.044  1.0
  F  F27  1  0.900  0.586  0.020  1.0
  F  F28  1  0.136  0.224  0.456  1.0
  F  F29  1  0.782  0.494  0.390  1.0
  F  F30  1  0.696  0.952  0.715  1.0
  F  F31  1  0.304  0.048  0.285  1.0
  F  F32  1  0.519  0.801  0.703  1.0
  F  F33  1  0.051  0.637  0.673  1.0
  F  F34  1  0.218  0.506  0.610  1.0
  F  F35  1  0.981  0.801  0.203  1.0
[/CIF]
.