data_1004044
_chemical_name_systematic          'Caesium tetrachloroaluminate'
_chemical_formula_structural       'Cs Al Cl4'
_chemical_formula_sum              'Al Cl4 Cs'
_publ_section_title
;
Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb,
Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al
Cl~4~
;
loop_
_publ_author_name
  'Mairesse, G'
  'Barbier, P'
  'Wignacourt, J P'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                1573
_journal_page_last                 1580
_cell_length_a                     11.641(8)
_cell_length_b                     7.116(5)
_cell_length_c                     9.373(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       776.4
_cell_formula_units_Z              4
_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
  Al3+   3.000
  Cl1-  -1.000
  Cs1+   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
  Al1   Al3+   4 c 0.57016(19) 0.25 0.69293(23) 1.  0 d
  Cl1   Cl1-   4 c 0.71186(26) 0.25 0.55165(27) 1.  0 d
  Cl2   Cl1-   4 c 0.40999(29) 0.25 0.58962(46) 1.  0 d
  Cl3   Cl1-   8 d 0.58735(13) 0.00915(22) 0.82699(15) 1.  0 d
  Cs1   Cs1+   4 c 0.68056(4) 0.25 0.16536(6) 1.  0 d
_refine_ls_R_factor_all            0.047