The material described by Ba2(BF4)2(AsF6)(H3F4) crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted q6 geometry to one F(5), three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. B(1) is bonded in a tetrahedral geometry to one F(5) and three equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to six equivalent F(3) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(4) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1) and one As(1) atom. In the second F site, F(4) is bonded in a trigonal planar geometry to three equivalent H(1) atoms. In the third F site, F(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2AsH3F18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   17.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   762.674
_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  0.667  0.333  0.377  1.0
  Ba  Ba1  1  0.333  0.667  0.623  1.0
  Ba  Ba2  1  0.333  0.667  0.877  1.0
  Ba  Ba3  1  0.667  0.333  0.123  1.0
  B  B4  1  0.667  0.333  0.609  1.0
  B  B5  1  0.333  0.667  0.391  1.0
  B  B6  1  0.333  0.667  0.109  1.0
  B  B7  1  0.667  0.333  0.891  1.0
  As  As8  1  0.000  0.000  0.500  1.0
  As  As9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.889  0.111  0.250  1.0
  H  H11  1  0.889  0.778  0.250  1.0
  H  H12  1  0.222  0.111  0.250  1.0
  H  H13  1  0.111  0.889  0.750  1.0
  H  H14  1  0.111  0.222  0.750  1.0
  H  H15  1  0.778  0.889  0.750  1.0
  F  F16  1  0.805  0.195  0.250  1.0
  F  F17  1  0.805  0.610  0.250  1.0
  F  F18  1  0.390  0.195  0.250  1.0
  F  F19  1  0.195  0.805  0.750  1.0
  F  F20  1  0.195  0.390  0.750  1.0
  F  F21  1  0.610  0.805  0.750  1.0
  F  F22  1  0.443  0.887  0.365  1.0
  F  F23  1  0.113  0.557  0.365  1.0
  F  F24  1  0.443  0.557  0.365  1.0
  F  F25  1  0.557  0.113  0.635  1.0
  F  F26  1  0.887  0.443  0.635  1.0
  F  F27  1  0.557  0.443  0.635  1.0
  F  F28  1  0.557  0.113  0.865  1.0
  F  F29  1  0.887  0.443  0.865  1.0
  F  F30  1  0.557  0.443  0.865  1.0
  F  F31  1  0.443  0.887  0.135  1.0
  F  F32  1  0.113  0.557  0.135  1.0
  F  F33  1  0.443  0.557  0.135  1.0
  F  F34  1  0.762  0.881  0.557  1.0
  F  F35  1  0.119  0.881  0.557  1.0
  F  F36  1  0.119  0.238  0.557  1.0
  F  F37  1  0.238  0.119  0.443  1.0
  F  F38  1  0.881  0.119  0.443  1.0
  F  F39  1  0.881  0.762  0.443  1.0
  F  F40  1  0.238  0.119  0.057  1.0
  F  F41  1  0.881  0.119  0.057  1.0
  F  F42  1  0.881  0.762  0.057  1.0
  F  F43  1  0.762  0.881  0.943  1.0
  F  F44  1  0.119  0.881  0.943  1.0
  F  F45  1  0.119  0.238  0.943  1.0
  F  F46  1  0.000  0.000  0.750  1.0
  F  F47  1  0.000  0.000  0.250  1.0
  F  F48  1  0.667  0.333  0.529  1.0
  F  F49  1  0.333  0.667  0.471  1.0
  F  F50  1  0.333  0.667  0.029  1.0
  F  F51  1  0.667  0.333  0.971  1.0
[/CIF]
.
The material described by Ba2(BF4)2(AsF6)(H3F4) crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a distorted q6 geometry to one F(5), three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. B(1) is bonded in a tetrahedral geometry to one F(5) and three equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to six equivalent F(3) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(4) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1) and one As(1) atom. In the second F site, F(4) is bonded in a trigonal planar geometry to three equivalent H(1) atoms. In the third F site, F(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2AsH3F18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   17.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   762.674
_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  0.667  0.333  0.377  1.0
  Ba  Ba1  1  0.333  0.667  0.623  1.0
  Ba  Ba2  1  0.333  0.667  0.877  1.0
  Ba  Ba3  1  0.667  0.333  0.123  1.0
  B  B4  1  0.667  0.333  0.609  1.0
  B  B5  1  0.333  0.667  0.391  1.0
  B  B6  1  0.333  0.667  0.109  1.0
  B  B7  1  0.667  0.333  0.891  1.0
  As  As8  1  0.000  0.000  0.500  1.0
  As  As9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.889  0.111  0.250  1.0
  H  H11  1  0.889  0.778  0.250  1.0
  H  H12  1  0.222  0.111  0.250  1.0
  H  H13  1  0.111  0.889  0.750  1.0
  H  H14  1  0.111  0.222  0.750  1.0
  H  H15  1  0.778  0.889  0.750  1.0
  F  F16  1  0.805  0.195  0.250  1.0
  F  F17  1  0.805  0.610  0.250  1.0
  F  F18  1  0.390  0.195  0.250  1.0
  F  F19  1  0.195  0.805  0.750  1.0
  F  F20  1  0.195  0.390  0.750  1.0
  F  F21  1  0.610  0.805  0.750  1.0
  F  F22  1  0.443  0.887  0.365  1.0
  F  F23  1  0.113  0.557  0.365  1.0
  F  F24  1  0.443  0.557  0.365  1.0
  F  F25  1  0.557  0.113  0.635  1.0
  F  F26  1  0.887  0.443  0.635  1.0
  F  F27  1  0.557  0.443  0.635  1.0
  F  F28  1  0.557  0.113  0.865  1.0
  F  F29  1  0.887  0.443  0.865  1.0
  F  F30  1  0.557  0.443  0.865  1.0
  F  F31  1  0.443  0.887  0.135  1.0
  F  F32  1  0.113  0.557  0.135  1.0
  F  F33  1  0.443  0.557  0.135  1.0
  F  F34  1  0.762  0.881  0.557  1.0
  F  F35  1  0.119  0.881  0.557  1.0
  F  F36  1  0.119  0.238  0.557  1.0
  F  F37  1  0.238  0.119  0.443  1.0
  F  F38  1  0.881  0.119  0.443  1.0
  F  F39  1  0.881  0.762  0.443  1.0
  F  F40  1  0.238  0.119  0.057  1.0
  F  F41  1  0.881  0.119  0.057  1.0
  F  F42  1  0.881  0.762  0.057  1.0
  F  F43  1  0.762  0.881  0.943  1.0
  F  F44  1  0.119  0.881  0.943  1.0
  F  F45  1  0.119  0.238  0.943  1.0
  F  F46  1  0.000  0.000  0.750  1.0
  F  F47  1  0.000  0.000  0.250  1.0
  F  F48  1  0.667  0.333  0.529  1.0
  F  F49  1  0.333  0.667  0.471  1.0
  F  F50  1  0.333  0.667  0.029  1.0
  F  F51  1  0.667  0.333  0.971  1.0
[/CIF]
.