#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/09/1010923.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010923
_chemical_name_systematic          'Pentasodium trialuminium fluoride'
_chemical_name_mineral             'Chiolite'
_chemical_formula_structural       'Na5 Al3 F14'
_chemical_formula_sum              'Al3 F14 Na5'
_publ_section_title                'Die Kristallstruktur des Chioliths'
loop_
_publ_author_name                  'Brosset, C'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    238
_journal_year                      1938
_journal_page_first                201
_journal_page_last                 208
_cell_length_a                     7.00(1)
_cell_length_b                     7.00(1)
_cell_length_c                     10.39(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       509.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.01
_symmetry_space_group_name_H-M     'P 4/m n c'
_symmetry_Int_Tables_number        128
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   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
  Na1   Na1+   2 b 0. 0. 0.5 1.  0 d
  Na2   Na1+   8 g 0.275 0.775 0.25 1.  0 d
  Al1   Al3+   2 a 0. 0. 0. 1.  0 d
  Al2   Al3+   4 c 0. 0.5 0. 1.  0 d
  F1    F1-    4 e 0. 0. 0.185 1.  0 d
  F2    F1-    8 h 0.07 0.25 0. 1.  0 d
  F3    F1-   16 i 0.21 0.535 0.12 1.  0 d
_cod_database_code 1010923