The structure described by BaY6(Si3B6O24)F2 crystallizes in the trigonal P3m1 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(5) and six equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(6), and one F(1) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(6), and one F(2) atom. B(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Y(1), one B(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Y(1), and two equivalent B(1) atoms. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one B(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Y(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_BaY6Si3B6(O12F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.737
_cell_length_b   10.737
_cell_length_c   4.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.243
_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
  Ba  Ba0  1  0.000  0.000  0.005  1.0
  Y  Y1  1  0.570  0.785  0.955  1.0
  Y  Y2  1  0.215  0.785  0.955  1.0
  Y  Y3  1  0.215  0.430  0.955  1.0
  Y  Y4  1  0.784  0.216  0.001  1.0
  Y  Y5  1  0.784  0.569  0.001  1.0
  Y  Y6  1  0.431  0.216  0.001  1.0
  Si  Si7  1  0.493  0.507  0.401  1.0
  Si  Si8  1  0.014  0.507  0.401  1.0
  Si  Si9  1  0.493  0.986  0.401  1.0
  B  B10  1  0.749  0.749  0.483  1.0
  B  B11  1  1.000  0.251  0.483  1.0
  B  B12  1  0.251  0.251  0.483  1.0
  B  B13  1  0.749  0.000  0.483  1.0
  B  B14  1  0.251  0.000  0.483  1.0
  B  B15  1  1.000  0.749  0.483  1.0
  O  O16  1  0.426  0.852  0.182  1.0
  O  O17  1  0.025  0.633  0.623  1.0
  O  O18  1  0.287  0.143  0.598  1.0
  O  O19  1  0.569  0.139  0.230  1.0
  O  O20  1  0.112  0.888  0.604  1.0
  O  O21  1  0.737  0.998  0.182  1.0
  O  O22  1  0.367  0.392  0.623  1.0
  O  O23  1  0.861  0.431  0.230  1.0
  O  O24  1  0.426  0.574  0.182  1.0
  O  O25  1  0.002  0.739  0.182  1.0
  O  O26  1  0.608  0.975  0.623  1.0
  O  O27  1  0.025  0.392  0.623  1.0
  O  O28  1  0.777  0.888  0.604  1.0
  O  O29  1  0.002  0.263  0.182  1.0
  O  O30  1  0.367  0.975  0.623  1.0
  O  O31  1  0.261  0.263  0.182  1.0
  O  O32  1  0.608  0.633  0.623  1.0
  O  O33  1  0.857  0.713  0.598  1.0
  O  O34  1  0.112  0.223  0.604  1.0
  O  O35  1  0.261  0.998  0.182  1.0
  O  O36  1  0.737  0.739  0.182  1.0
  O  O37  1  0.148  0.574  0.182  1.0
  O  O38  1  0.569  0.431  0.230  1.0
  O  O39  1  0.857  0.143  0.598  1.0
  F  F40  1  0.333  0.667  0.749  1.0
  F  F41  1  0.667  0.333  0.798  1.0
[/CIF]
.
The structure described by BaY6(Si3B6O24)F2 crystallizes in the trigonal P3m1 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(5) and six equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(6), and one F(1) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(6), and one F(2) atom. B(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Y(1), one B(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Y(1), and two equivalent B(1) atoms. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one B(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Y(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_BaY6Si3B6(O12F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.737
_cell_length_b   10.737
_cell_length_c   4.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.243
_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
  Ba  Ba0  1  0.000  0.000  0.005  1.0
  Y  Y1  1  0.570  0.785  0.955  1.0
  Y  Y2  1  0.215  0.785  0.955  1.0
  Y  Y3  1  0.215  0.430  0.955  1.0
  Y  Y4  1  0.784  0.216  0.001  1.0
  Y  Y5  1  0.784  0.569  0.001  1.0
  Y  Y6  1  0.431  0.216  0.001  1.0
  Si  Si7  1  0.493  0.507  0.401  1.0
  Si  Si8  1  0.014  0.507  0.401  1.0
  Si  Si9  1  0.493  0.986  0.401  1.0
  B  B10  1  0.749  0.749  0.483  1.0
  B  B11  1  1.000  0.251  0.483  1.0
  B  B12  1  0.251  0.251  0.483  1.0
  B  B13  1  0.749  0.000  0.483  1.0
  B  B14  1  0.251  0.000  0.483  1.0
  B  B15  1  1.000  0.749  0.483  1.0
  O  O16  1  0.426  0.852  0.182  1.0
  O  O17  1  0.025  0.633  0.623  1.0
  O  O18  1  0.287  0.143  0.598  1.0
  O  O19  1  0.569  0.139  0.230  1.0
  O  O20  1  0.112  0.888  0.604  1.0
  O  O21  1  0.737  0.998  0.182  1.0
  O  O22  1  0.367  0.392  0.623  1.0
  O  O23  1  0.861  0.431  0.230  1.0
  O  O24  1  0.426  0.574  0.182  1.0
  O  O25  1  0.002  0.739  0.182  1.0
  O  O26  1  0.608  0.975  0.623  1.0
  O  O27  1  0.025  0.392  0.623  1.0
  O  O28  1  0.777  0.888  0.604  1.0
  O  O29  1  0.002  0.263  0.182  1.0
  O  O30  1  0.367  0.975  0.623  1.0
  O  O31  1  0.261  0.263  0.182  1.0
  O  O32  1  0.608  0.633  0.623  1.0
  O  O33  1  0.857  0.713  0.598  1.0
  O  O34  1  0.112  0.223  0.604  1.0
  O  O35  1  0.261  0.998  0.182  1.0
  O  O36  1  0.737  0.739  0.182  1.0
  O  O37  1  0.148  0.574  0.182  1.0
  O  O38  1  0.569  0.431  0.230  1.0
  O  O39  1  0.857  0.143  0.598  1.0
  F  F40  1  0.333  0.667  0.749  1.0
  F  F41  1  0.667  0.333  0.798  1.0
[/CIF]
.