data_1000107
_chemical_name_systematic          'Caesium tetrafluoroaluminate - $-gamma'
_chemical_formula_structural       'Cs (Al F4)'
_chemical_formula_sum              'Al Cs F4'
_publ_section_title
;
Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline
forms
;
loop_
_publ_author_name
  'Bentrup, U'
  'Le Bail, A'
  'Duroy, H'
  'Fourquet, J L'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    29
_journal_year                      1992
_journal_page_first                371
_journal_page_last                 381
_cell_length_a                     10.5576(6)
_cell_length_b                     6.7500(4)
_cell_length_c                     17.5954(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1253.9
_cell_formula_units_Z              12
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Al3+   3.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cs1   Cs1+   4 c 0.1920(2) 0.25 0.8179(1) 1.  0 d
  Cs2   Cs1+   4 c 0.3776(2) 0.25 0.0413(1) 1.  0 d
  Cs3   Cs1+   4 c 0.0664(2) 0.25 0.2286(1) 1.  0 d
  Al1   Al3+   4 c 0.2626(6) 0.75 0.9208(4) 1.  0 d
  Al2   Al3+   4 a 0. 0. 0. 1.  0 d
  Al3   Al3+   4 c 0.2937(7) 0.25 0.6299(4) 1.  0 d
  F1    F1-    8 d 0.2037(6) 0.048(1) 0.6599(4) 1.  0 d
  F2    F1-    4 c 0.2900(9) 0.25 0.3257(7) 1.  0 d
  F3    F1-    4 c 0.2254(8) 0.25 0.5321(6) 1.  0 d
  F4    F1-    4 c 0.4432(9) 0.75 0.5081(6) 1.  0 d
  F5    F1-    8 d 0.3686(6) 0.070(1) 0.4415(4) 1.  0 d
  F6    F1-    8 d 0.4155(7) 0.435(1) 0.5810(4) 1.  0 d
  F7    F1-    4 c 0.3995(9) 0.25 0.7109(6) 1.  0 d
  F8    F1-    8 d 0.3684(6) 0.570(1) 0.9144(4) 1.  0 d
_refine_ls_R_factor_all            0.039