#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/02/1000277.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_1000277
_chemical_name_systematic
;
Rubidium ammonium tetrafluoroaluminate (.1/.9/1)
;
_chemical_formula_structural       'Rb0.10 (N H4)0.90 (Al F4)'
_chemical_formula_sum            'Al F4 H3.6 N0.9 Rb0.1'
_[local]_cod_chemical_formula_sum_orig 'H3.6 Al F4 N.9 Rb.1'
_publ_section_title
;
A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed
compounds
;
loop_
_publ_author_name
  'Jouanneaux, A'
  'Leble, A'
  'Pannetier, J'
  'Fourquet, J L'
_journal_name_full                 'Journal of Physics: Condensed Matter'
_journal_coden_ASTM                JCOMEL
_journal_volume                    1
_journal_year                      1989
_journal_page_first                1577
_journal_page_last                 1588
_cell_length_a                     5.060(1)
_cell_length_b                     5.060(1)
_cell_length_c                     12.6977(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       325.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 4/m c m'
_symmetry_Int_Tables_number        140
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  'y,x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  Rb1+   1.000
  Al3+   3.000
  F1-   -1.000
  H1+    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
  N1    N3-    4 b 0. 0.5 0.25 0.9  0 d
  Rb1   Rb1+   4 b 0. 0.5 0.25 0.1  0 d
  Al1   Al3+   4 c 0. 0. 0. 1.  0 d
  F1    F1-    8 f 0. 0. 0.1395(2) 1.  0 d
  F2    F1-    8 h 0.2042(3) 0.7042(3) 0. 1.  0 d
  H1    H1+   32 m 0.0005(9) 0.3326(9) 0.2046(4) 0.45  0 d
_cod_database_code 1000277