#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001569.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_9001569
_chemical_name 'Preiswerkite'
loop_
_publ_author_name
'Oberti R'
'Ungaretti L'
'Tlili A'
'Smith D C'
'Robert J-L'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 1290
_journal_page_last 1298
_publ_section_title
;
 The crystal structure of preiswerkite
 Sample: KP9
;
_chemical_formula_sum 'Si2 Al3.15 Mg1.85 Na.85 O12 H2'
_cell_length_a 5.225
_cell_length_b 9.050
_cell_length_c 9.791
_cell_angle_alpha 90
_cell_angle_beta 100.27
_cell_angle_gamma 90
_cell_volume 455.562
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
SiT   0.57090   0.16660   0.21260   0.50000 ?
AlT   0.57090   0.16660   0.21260   0.50000 ?
Mg1   0.00000   0.50000   0.50000   0.85000 ?
Al1   0.00000   0.50000   0.50000   0.15000 ?
Mg2   0.00000   0.82910   0.50000   0.50000 ?
Al2   0.00000   0.82910   0.50000   0.50000 ?
Na   0.00000   0.00000   0.00000   0.85000 ?
O1   0.85460   0.19710   0.15930   1.00000 ?
O2   0.44870   0.00000   0.15980   1.00000 ?
O3   0.62850   0.16850   0.39180   1.00000 ?
O-h4   0.13350   0.00000   0.39700   1.00000 ?
H   0.07490   0.00000   0.30420   1.00000   0.01267