#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000082.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_1000082
_chemical_name_systematic          'Dirubidium sodium hexaaluminium fluoride'
_chemical_formula_structural       'Rb2 Na Al6 F21'
_chemical_formula_sum              'Al6 F21 Na Rb2'
_publ_section_title
;
Crystal structure of Rb~2~NaAl~6~F~21~; a new term of the
A~2~Na(Al~x~F~3x+1~)~3~ family (A= Rb, Cs)
;
loop_
_publ_author_name
  'Le Bail, A'
  'Gao, Y'
  'Jacoboni, C'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    26
_journal_year                      1989
_journal_page_first                281
_journal_page_last                 288
_cell_length_a                     12.075(6)
_cell_length_b                     6.972(3)
_cell_length_c                     10.214(5)
_cell_angle_alpha                  90
_cell_angle_beta                   113.20(2)
_cell_angle_gamma                  90
_cell_volume                       790.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C 1 2 1'
_symmetry_Int_Tables_number        5
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  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
  Rb1   Rb1+   4 c 0.1343(2) 0. 0.4048(1) 1.  0 d
  Na1   Na1+   2 b 0. 0.4844(5) 0.5 1.  0 d
  Al1   Al3+   4 c 0.5644(4) -0.0232(5) 0.1916(4) 1.  0 d
  Al2   Al3+   4 c 0.3138(4) 0.2287(6) 0.1915(3) 1.  0 d
  Al3   Al3+   4 c -0.3137(4) 0.7279(5) -0.1894(3) 1.  0 d
  F1    F1-    2 a 0. 0.4923(14) 0. 1.  0 d
  F2    F1-    4 c 0.2677(5) 0.2266(7) -0.0006(4) 1.  0 d
  F3    F1-    4 c 0.2707(5) -0.0211(9) 0.1858(5) 1.  0 d
  F4    F1-    4 c 0.4624(8) 0.1622(9) 0.2056(5) 1.  0 d
  F5    F1-    4 c -0.4511(9) 0.7958(10) -0.1671(4) 1.  0 d
  F6    F1-    4 c 0.1464(5) -0.0230(9) 0.8116(5) 1.  0 d
  F7    F1-    4 c 0.1622(8) 0.2943(9) 0.1697(4) 1.  0 d
  F8    F1-    4 c -0.1747(9) 0.6631(9) -0.2049(5) 1.  0 d
  F9    F1-    4 c 0.3674(8) 0.2302(11) 0.3780(5) 1.  0 d
  F10   F1-    4 c -0.3828(9) 0.7389(11) -0.3742(5) 1.  0 d
  F11   F1-    4 c 0.3774(6) -0.0590(8) 0.6259(6) 1.  0 d
_refine_ls_R_factor_all            0.04
_cod_database_code 1000082