The material described by CsAgAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(3), and four equivalent F(4) atoms. Ag(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. Al(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Ag(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ag(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_CsAlAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.576
_cell_length_c   10.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.097
_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
  Cs  Cs0  1  0.750  0.521  0.134  1.0
  Cs  Cs1  1  0.250  0.479  0.866  1.0
  Cs  Cs2  1  0.250  0.979  0.634  1.0
  Cs  Cs3  1  0.750  0.021  0.366  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Al  Al7  1  0.000  0.500  0.500  1.0
  Ag  Ag8  1  0.250  0.784  0.254  1.0
  Ag  Ag9  1  0.750  0.716  0.754  1.0
  Ag  Ag10  1  0.250  0.284  0.246  1.0
  Ag  Ag11  1  0.750  0.216  0.746  1.0
  F  F12  1  0.250  0.464  0.505  1.0
  F  F13  1  0.750  0.536  0.495  1.0
  F  F14  1  0.750  0.963  0.669  1.0
  F  F15  1  0.470  0.700  0.407  1.0
  F  F16  1  0.250  0.964  0.995  1.0
  F  F17  1  0.013  0.632  0.645  1.0
  F  F18  1  0.030  0.200  0.093  1.0
  F  F19  1  0.530  0.300  0.593  1.0
  F  F20  1  0.513  0.868  0.145  1.0
  F  F21  1  0.250  0.537  0.169  1.0
  F  F22  1  0.987  0.868  0.145  1.0
  F  F23  1  0.513  0.368  0.355  1.0
  F  F24  1  0.470  0.200  0.093  1.0
  F  F25  1  0.970  0.300  0.593  1.0
  F  F26  1  0.250  0.037  0.331  1.0
  F  F27  1  0.970  0.800  0.907  1.0
  F  F28  1  0.487  0.632  0.645  1.0
  F  F29  1  0.750  0.463  0.831  1.0
  F  F30  1  0.750  0.036  0.005  1.0
  F  F31  1  0.487  0.132  0.855  1.0
  F  F32  1  0.987  0.368  0.355  1.0
  F  F33  1  0.530  0.800  0.907  1.0
  F  F34  1  0.013  0.132  0.855  1.0
  F  F35  1  0.030  0.700  0.407  1.0
[/CIF]
.
The material described by CsAgAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(3), and four equivalent F(4) atoms. Ag(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. Al(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Ag(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ag(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_CsAlAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.576
_cell_length_c   10.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.097
_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
  Cs  Cs0  1  0.750  0.521  0.134  1.0
  Cs  Cs1  1  0.250  0.479  0.866  1.0
  Cs  Cs2  1  0.250  0.979  0.634  1.0
  Cs  Cs3  1  0.750  0.021  0.366  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Al  Al7  1  0.000  0.500  0.500  1.0
  Ag  Ag8  1  0.250  0.784  0.254  1.0
  Ag  Ag9  1  0.750  0.716  0.754  1.0
  Ag  Ag10  1  0.250  0.284  0.246  1.0
  Ag  Ag11  1  0.750  0.216  0.746  1.0
  F  F12  1  0.250  0.464  0.505  1.0
  F  F13  1  0.750  0.536  0.495  1.0
  F  F14  1  0.750  0.963  0.669  1.0
  F  F15  1  0.470  0.700  0.407  1.0
  F  F16  1  0.250  0.964  0.995  1.0
  F  F17  1  0.013  0.632  0.645  1.0
  F  F18  1  0.030  0.200  0.093  1.0
  F  F19  1  0.530  0.300  0.593  1.0
  F  F20  1  0.513  0.868  0.145  1.0
  F  F21  1  0.250  0.537  0.169  1.0
  F  F22  1  0.987  0.868  0.145  1.0
  F  F23  1  0.513  0.368  0.355  1.0
  F  F24  1  0.470  0.200  0.093  1.0
  F  F25  1  0.970  0.300  0.593  1.0
  F  F26  1  0.250  0.037  0.331  1.0
  F  F27  1  0.970  0.800  0.907  1.0
  F  F28  1  0.487  0.632  0.645  1.0
  F  F29  1  0.750  0.463  0.831  1.0
  F  F30  1  0.750  0.036  0.005  1.0
  F  F31  1  0.487  0.132  0.855  1.0
  F  F32  1  0.987  0.368  0.355  1.0
  F  F33  1  0.530  0.800  0.907  1.0
  F  F34  1  0.013  0.132  0.855  1.0
  F  F35  1  0.030  0.700  0.407  1.0
[/CIF]
.