#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009595.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_9009595
_chemical_name 'Weberite'
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 25
_journal_year 1978
_journal_page_first 57
_journal_page_last 62
_publ_section_title
;
 Re-examination of the crystal structure of weberite
 Locality: Ivigtut, Greenland
;
_chemical_formula_sum 'Na2 Mg Al F7'
_cell_length_a 7.060
_cell_length_b 10.000
_cell_length_c 7.303
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 515.592
_symmetry_space_group_name_H-M 'I m m a'
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,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+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'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Na1   0.00000   0.00000   0.00000   0.02178
Na2   0.25000   0.25000   0.75000   0.02850
Mg1   0.25000   0.25000   0.25000   0.00570
Al1   0.00000   0.00000   0.50000   0.00393
F1   0.00000   0.25000   0.13620   0.00988
F2   0.00000   0.41450   0.72050   0.01140
F3   0.18360   0.38730   0.43010   0.01102