The material described by BaTaF7 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two BaF clusters and four TaF6 clusters. In each BaF cluster, Ba(1) is bonded in a 2-coordinate geometry to two equivalent F(7) atoms. F(7) is bonded in a water-like geometry to two equivalent Ba(1) atoms. In each TaF6 cluster, Ta(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_BaTaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   5.762
_cell_length_c   10.423
_cell_angle_alpha   87.690
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.287
_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
  Ba  Ba0  1  0.331  0.310  0.509  1.0
  Ba  Ba1  1  0.831  0.690  0.991  1.0
  Ba  Ba2  1  0.669  0.690  0.491  1.0
  Ba  Ba3  1  0.169  0.310  0.009  1.0
  Ta  Ta4  1  0.611  0.185  0.185  1.0
  Ta  Ta5  1  0.389  0.815  0.815  1.0
  Ta  Ta6  1  0.889  0.185  0.685  1.0
  Ta  Ta7  1  0.111  0.815  0.315  1.0
  F  F8  1  0.449  0.101  0.880  1.0
  F  F9  1  0.050  0.331  0.635  1.0
  F  F10  1  0.691  0.469  0.241  1.0
  F  F11  1  0.309  0.531  0.759  1.0
  F  F12  1  0.455  0.880  0.641  1.0
  F  F13  1  0.804  0.256  0.523  1.0
  F  F14  1  0.762  0.001  0.241  1.0
  F  F15  1  0.955  0.120  0.859  1.0
  F  F16  1  0.450  0.331  0.135  1.0
  F  F17  1  0.191  0.531  0.259  1.0
  F  F18  1  0.051  0.101  0.380  1.0
  F  F19  1  0.551  0.899  0.120  1.0
  F  F20  1  0.262  0.999  0.259  1.0
  F  F21  1  0.958  0.388  0.113  1.0
  F  F22  1  0.545  0.120  0.359  1.0
  F  F23  1  0.045  0.880  0.141  1.0
  F  F24  1  0.238  0.999  0.759  1.0
  F  F25  1  0.949  0.899  0.620  1.0
  F  F26  1  0.458  0.612  0.387  1.0
  F  F27  1  0.950  0.669  0.365  1.0
  F  F28  1  0.042  0.612  0.887  1.0
  F  F29  1  0.738  0.001  0.741  1.0
  F  F30  1  0.542  0.388  0.613  1.0
  F  F31  1  0.304  0.744  0.977  1.0
  F  F32  1  0.196  0.744  0.477  1.0
  F  F33  1  0.696  0.256  0.023  1.0
  F  F34  1  0.550  0.669  0.865  1.0
  F  F35  1  0.809  0.469  0.741  1.0
[/CIF]
.
The material described by BaTaF7 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two BaF clusters and four TaF6 clusters. In each BaF cluster, Ba(1) is bonded in a 2-coordinate geometry to two equivalent F(7) atoms. F(7) is bonded in a water-like geometry to two equivalent Ba(1) atoms. In each TaF6 cluster, Ta(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_BaTaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   5.762
_cell_length_c   10.423
_cell_angle_alpha   87.690
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.287
_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
  Ba  Ba0  1  0.331  0.310  0.509  1.0
  Ba  Ba1  1  0.831  0.690  0.991  1.0
  Ba  Ba2  1  0.669  0.690  0.491  1.0
  Ba  Ba3  1  0.169  0.310  0.009  1.0
  Ta  Ta4  1  0.611  0.185  0.185  1.0
  Ta  Ta5  1  0.389  0.815  0.815  1.0
  Ta  Ta6  1  0.889  0.185  0.685  1.0
  Ta  Ta7  1  0.111  0.815  0.315  1.0
  F  F8  1  0.449  0.101  0.880  1.0
  F  F9  1  0.050  0.331  0.635  1.0
  F  F10  1  0.691  0.469  0.241  1.0
  F  F11  1  0.309  0.531  0.759  1.0
  F  F12  1  0.455  0.880  0.641  1.0
  F  F13  1  0.804  0.256  0.523  1.0
  F  F14  1  0.762  0.001  0.241  1.0
  F  F15  1  0.955  0.120  0.859  1.0
  F  F16  1  0.450  0.331  0.135  1.0
  F  F17  1  0.191  0.531  0.259  1.0
  F  F18  1  0.051  0.101  0.380  1.0
  F  F19  1  0.551  0.899  0.120  1.0
  F  F20  1  0.262  0.999  0.259  1.0
  F  F21  1  0.958  0.388  0.113  1.0
  F  F22  1  0.545  0.120  0.359  1.0
  F  F23  1  0.045  0.880  0.141  1.0
  F  F24  1  0.238  0.999  0.759  1.0
  F  F25  1  0.949  0.899  0.620  1.0
  F  F26  1  0.458  0.612  0.387  1.0
  F  F27  1  0.950  0.669  0.365  1.0
  F  F28  1  0.042  0.612  0.887  1.0
  F  F29  1  0.738  0.001  0.741  1.0
  F  F30  1  0.542  0.388  0.613  1.0
  F  F31  1  0.304  0.744  0.977  1.0
  F  F32  1  0.196  0.744  0.477  1.0
  F  F33  1  0.696  0.256  0.023  1.0
  F  F34  1  0.550  0.669  0.865  1.0
  F  F35  1  0.809  0.469  0.741  1.0
[/CIF]
.