The compound described by Ba3Sr4(BO3)3F5 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), four equivalent O(2), one F(1), and two equivalent F(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to six equivalent O(2), one F(2), and three equivalent F(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sr(1), two equivalent Sr(2), and one B(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second F site, F(2) is bonded to one Sr(1) and three equivalent Sr(2) atoms to form corner-sharing FSr4 tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Sr(2) atoms to form distorted FBa2Sr3 trigonal bipyramids that share corners with three equivalent F(2)Sr4 tetrahedra, corners with two equivalent F(3)Ba2Sr3 trigonal bipyramids, and edges with two equivalent F(3)Ba2Sr3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba3Sr4B3O9F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.899
_cell_length_b   10.899
_cell_length_c   7.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   728.391
_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
  Ba  Ba0  1  0.138  0.862  0.994  1.0
  Ba  Ba1  1  0.138  0.276  0.994  1.0
  Ba  Ba2  1  0.724  0.862  0.994  1.0
  Ba  Ba3  1  0.862  0.138  0.494  1.0
  Ba  Ba4  1  0.862  0.724  0.494  1.0
  Ba  Ba5  1  0.276  0.138  0.494  1.0
  Sr  Sr6  1  0.667  0.333  0.266  1.0
  Sr  Sr7  1  0.333  0.667  0.766  1.0
  Sr  Sr8  1  0.535  0.070  0.837  1.0
  Sr  Sr9  1  0.930  0.465  0.837  1.0
  Sr  Sr10  1  0.535  0.465  0.837  1.0
  Sr  Sr11  1  0.465  0.930  0.337  1.0
  Sr  Sr12  1  0.070  0.535  0.337  1.0
  Sr  Sr13  1  0.465  0.535  0.337  1.0
  B  B14  1  0.375  0.188  0.056  1.0
  B  B15  1  0.812  0.188  0.056  1.0
  B  B16  1  0.812  0.625  0.056  1.0
  B  B17  1  0.625  0.812  0.556  1.0
  B  B18  1  0.188  0.812  0.556  1.0
  B  B19  1  0.188  0.375  0.556  1.0
  O  O20  1  0.322  0.161  0.873  1.0
  O  O21  1  0.839  0.161  0.873  1.0
  O  O22  1  0.839  0.678  0.873  1.0
  O  O23  1  0.678  0.839  0.373  1.0
  O  O24  1  0.161  0.839  0.373  1.0
  O  O25  1  0.161  0.322  0.373  1.0
  O  O26  1  0.402  0.311  0.149  1.0
  O  O27  1  0.689  0.091  0.149  1.0
  O  O28  1  0.909  0.598  0.149  1.0
  O  O29  1  0.689  0.598  0.149  1.0
  O  O30  1  0.909  0.311  0.149  1.0
  O  O31  1  0.402  0.091  0.149  1.0
  O  O32  1  0.598  0.689  0.649  1.0
  O  O33  1  0.311  0.909  0.649  1.0
  O  O34  1  0.091  0.402  0.649  1.0
  O  O35  1  0.311  0.402  0.649  1.0
  O  O36  1  0.091  0.689  0.649  1.0
  O  O37  1  0.598  0.909  0.649  1.0
  F  F38  1  0.000  0.000  0.127  1.0
  F  F39  1  0.000  0.000  0.627  1.0
  F  F40  1  0.667  0.333  0.914  1.0
  F  F41  1  0.333  0.667  0.414  1.0
  F  F42  1  0.578  0.155  0.513  1.0
  F  F43  1  0.845  0.422  0.513  1.0
  F  F44  1  0.578  0.422  0.513  1.0
  F  F45  1  0.422  0.845  0.013  1.0
  F  F46  1  0.155  0.578  0.013  1.0
  F  F47  1  0.422  0.578  0.013  1.0
[/CIF]
.
The compound described by Ba3Sr4(BO3)3F5 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), four equivalent O(2), one F(1), and two equivalent F(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to six equivalent O(2), one F(2), and three equivalent F(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sr(1), two equivalent Sr(2), and one B(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second F site, F(2) is bonded to one Sr(1) and three equivalent Sr(2) atoms to form corner-sharing FSr4 tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Sr(2) atoms to form distorted FBa2Sr3 trigonal bipyramids that share corners with three equivalent F(2)Sr4 tetrahedra, corners with two equivalent F(3)Ba2Sr3 trigonal bipyramids, and edges with two equivalent F(3)Ba2Sr3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba3Sr4B3O9F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.899
_cell_length_b   10.899
_cell_length_c   7.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   728.391
_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
  Ba  Ba0  1  0.138  0.862  0.994  1.0
  Ba  Ba1  1  0.138  0.276  0.994  1.0
  Ba  Ba2  1  0.724  0.862  0.994  1.0
  Ba  Ba3  1  0.862  0.138  0.494  1.0
  Ba  Ba4  1  0.862  0.724  0.494  1.0
  Ba  Ba5  1  0.276  0.138  0.494  1.0
  Sr  Sr6  1  0.667  0.333  0.266  1.0
  Sr  Sr7  1  0.333  0.667  0.766  1.0
  Sr  Sr8  1  0.535  0.070  0.837  1.0
  Sr  Sr9  1  0.930  0.465  0.837  1.0
  Sr  Sr10  1  0.535  0.465  0.837  1.0
  Sr  Sr11  1  0.465  0.930  0.337  1.0
  Sr  Sr12  1  0.070  0.535  0.337  1.0
  Sr  Sr13  1  0.465  0.535  0.337  1.0
  B  B14  1  0.375  0.188  0.056  1.0
  B  B15  1  0.812  0.188  0.056  1.0
  B  B16  1  0.812  0.625  0.056  1.0
  B  B17  1  0.625  0.812  0.556  1.0
  B  B18  1  0.188  0.812  0.556  1.0
  B  B19  1  0.188  0.375  0.556  1.0
  O  O20  1  0.322  0.161  0.873  1.0
  O  O21  1  0.839  0.161  0.873  1.0
  O  O22  1  0.839  0.678  0.873  1.0
  O  O23  1  0.678  0.839  0.373  1.0
  O  O24  1  0.161  0.839  0.373  1.0
  O  O25  1  0.161  0.322  0.373  1.0
  O  O26  1  0.402  0.311  0.149  1.0
  O  O27  1  0.689  0.091  0.149  1.0
  O  O28  1  0.909  0.598  0.149  1.0
  O  O29  1  0.689  0.598  0.149  1.0
  O  O30  1  0.909  0.311  0.149  1.0
  O  O31  1  0.402  0.091  0.149  1.0
  O  O32  1  0.598  0.689  0.649  1.0
  O  O33  1  0.311  0.909  0.649  1.0
  O  O34  1  0.091  0.402  0.649  1.0
  O  O35  1  0.311  0.402  0.649  1.0
  O  O36  1  0.091  0.689  0.649  1.0
  O  O37  1  0.598  0.909  0.649  1.0
  F  F38  1  0.000  0.000  0.127  1.0
  F  F39  1  0.000  0.000  0.627  1.0
  F  F40  1  0.667  0.333  0.914  1.0
  F  F41  1  0.333  0.667  0.414  1.0
  F  F42  1  0.578  0.155  0.513  1.0
  F  F43  1  0.845  0.422  0.513  1.0
  F  F44  1  0.578  0.422  0.513  1.0
  F  F45  1  0.422  0.845  0.013  1.0
  F  F46  1  0.155  0.578  0.013  1.0
  F  F47  1  0.422  0.578  0.013  1.0
[/CIF]
.