The material described by BaCdAlF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(4), one F(7), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form CdF6 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AlF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(2), and one Al(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Cd(2), and one Al(1) atom. In the third F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(2), and one Al(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cd(1), and one Al(1) atom. In the fifth F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Cd(1), and one Cd(2) atom. In the sixth F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Cd(1), and one Al(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_BaAlCdF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   15.035
_cell_angle_alpha   88.337
_cell_angle_beta   88.337
_cell_angle_gamma   41.958
_symmetry_Int_Tables_number   1
_cell_volume   568.447
_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  0.653  0.728  0.877  1.0
  Ba  Ba1  1  0.347  0.272  0.123  1.0
  Ba  Ba2  1  0.272  0.347  0.623  1.0
  Ba  Ba3  1  0.728  0.653  0.377  1.0
  Al  Al4  1  0.385  0.370  0.875  1.0
  Al  Al5  1  0.615  0.630  0.125  1.0
  Al  Al6  1  0.630  0.615  0.625  1.0
  Al  Al7  1  0.370  0.385  0.375  1.0
  Cd  Cd8  1  0.000  0.000  0.500  1.0
  Cd  Cd9  1  0.000  0.000  0.000  1.0
  Cd  Cd10  1  0.949  0.051  0.750  1.0
  Cd  Cd11  1  0.051  0.949  0.250  1.0
  F  F12  1  0.428  0.744  0.525  1.0
  F  F13  1  0.572  0.256  0.475  1.0
  F  F14  1  0.256  0.572  0.975  1.0
  F  F15  1  0.744  0.428  0.025  1.0
  F  F16  1  0.689  0.802  0.592  1.0
  F  F17  1  0.311  0.198  0.408  1.0
  F  F18  1  0.198  0.311  0.908  1.0
  F  F19  1  0.802  0.689  0.092  1.0
  F  F20  1  0.543  0.132  0.782  1.0
  F  F21  1  0.457  0.868  0.218  1.0
  F  F22  1  0.868  0.457  0.718  1.0
  F  F23  1  0.132  0.543  0.282  1.0
  F  F24  1  0.601  0.400  0.653  1.0
  F  F25  1  0.399  0.600  0.347  1.0
  F  F26  1  0.600  0.399  0.847  1.0
  F  F27  1  0.400  0.601  0.153  1.0
  F  F28  1  0.359  0.882  0.697  1.0
  F  F29  1  0.641  0.118  0.303  1.0
  F  F30  1  0.118  0.641  0.803  1.0
  F  F31  1  0.882  0.359  0.197  1.0
  F  F32  1  0.656  0.077  0.948  1.0
  F  F33  1  0.344  0.923  0.052  1.0
  F  F34  1  0.923  0.344  0.552  1.0
  F  F35  1  0.077  0.656  0.448  1.0
  F  F36  1  0.843  0.023  0.130  1.0
  F  F37  1  0.157  0.977  0.870  1.0
  F  F38  1  0.977  0.157  0.370  1.0
  F  F39  1  0.023  0.843  0.630  1.0
[/CIF]
.
The material described by BaCdAlF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(4), one F(7), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form CdF6 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AlF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(2), and one Al(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Cd(2), and one Al(1) atom. In the third F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(2), and one Al(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cd(1), and one Al(1) atom. In the fifth F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Cd(1), and one Cd(2) atom. In the sixth F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Cd(1), and one Al(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_BaAlCdF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   15.035
_cell_angle_alpha   88.337
_cell_angle_beta   88.337
_cell_angle_gamma   41.958
_symmetry_Int_Tables_number   1
_cell_volume   568.447
_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  0.653  0.728  0.877  1.0
  Ba  Ba1  1  0.347  0.272  0.123  1.0
  Ba  Ba2  1  0.272  0.347  0.623  1.0
  Ba  Ba3  1  0.728  0.653  0.377  1.0
  Al  Al4  1  0.385  0.370  0.875  1.0
  Al  Al5  1  0.615  0.630  0.125  1.0
  Al  Al6  1  0.630  0.615  0.625  1.0
  Al  Al7  1  0.370  0.385  0.375  1.0
  Cd  Cd8  1  0.000  0.000  0.500  1.0
  Cd  Cd9  1  0.000  0.000  0.000  1.0
  Cd  Cd10  1  0.949  0.051  0.750  1.0
  Cd  Cd11  1  0.051  0.949  0.250  1.0
  F  F12  1  0.428  0.744  0.525  1.0
  F  F13  1  0.572  0.256  0.475  1.0
  F  F14  1  0.256  0.572  0.975  1.0
  F  F15  1  0.744  0.428  0.025  1.0
  F  F16  1  0.689  0.802  0.592  1.0
  F  F17  1  0.311  0.198  0.408  1.0
  F  F18  1  0.198  0.311  0.908  1.0
  F  F19  1  0.802  0.689  0.092  1.0
  F  F20  1  0.543  0.132  0.782  1.0
  F  F21  1  0.457  0.868  0.218  1.0
  F  F22  1  0.868  0.457  0.718  1.0
  F  F23  1  0.132  0.543  0.282  1.0
  F  F24  1  0.601  0.400  0.653  1.0
  F  F25  1  0.399  0.600  0.347  1.0
  F  F26  1  0.600  0.399  0.847  1.0
  F  F27  1  0.400  0.601  0.153  1.0
  F  F28  1  0.359  0.882  0.697  1.0
  F  F29  1  0.641  0.118  0.303  1.0
  F  F30  1  0.118  0.641  0.803  1.0
  F  F31  1  0.882  0.359  0.197  1.0
  F  F32  1  0.656  0.077  0.948  1.0
  F  F33  1  0.344  0.923  0.052  1.0
  F  F34  1  0.923  0.344  0.552  1.0
  F  F35  1  0.077  0.656  0.448  1.0
  F  F36  1  0.843  0.023  0.130  1.0
  F  F37  1  0.157  0.977  0.870  1.0
  F  F38  1  0.977  0.157  0.370  1.0
  F  F39  1  0.023  0.843  0.630  1.0
[/CIF]
.