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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001787.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_9001787
_chemical_name 'Brewsterite-Sr'
loop_
_publ_author_name
'Akizuki M'
'Kudoh Y'
'Kuribayashi T'
_journal_name_full "American Mineralogist"
_journal_volume 81
_journal_year 1996
_journal_page_first 1501
_journal_page_last 1506
_publ_section_title
;
 Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
 Sample: {011} sector
;
_chemical_formula_sum 'Si5.95 Al2.05 O21 Sr.5 Ba.45 K.01 H10'
_cell_length_a 6.786
_cell_length_b 17.517
_cell_length_c 7.742
_cell_angle_alpha 89.85
_cell_angle_beta 94.07
_cell_angle_gamma 90.12
_cell_volume 917.969
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-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
SiTa   0.31660   0.07910   0.82240   0.65000   0.01254
AlTa   0.31660   0.07910   0.82240   0.35000   0.01254
SiTa*   0.31630   0.42080   0.82270   0.60000   0.01330
AlTa*   0.31630   0.42080   0.82270   0.40000   0.01330
SiTb   0.41170   0.05820   0.20950   0.80000   0.01279
AlTb   0.41170   0.05820   0.20950   0.20000   0.01279
SiTb*   0.41020   0.44170   0.21090   0.80000   0.01254
AlTb*   0.41020   0.44170   0.21090   0.20000   0.01254
SiTc   0.55470   0.15820   0.52250   0.60000   0.01153
AlTc   0.55470   0.15820   0.52250   0.40000   0.01153
SiTc*   0.55410   0.34170   0.53440   0.60000   0.01153
AlTc*   0.55410   0.34170   0.53440   0.40000   0.01153
SiTd   0.90450   0.05200   0.64160   0.90000   0.01254
AlTd   0.90450   0.05200   0.64160   0.10000   0.01254
SiTd*   0.90430   0.44800   0.64120   1.00000   0.01191
O1   0.35420   0.10520   0.02790   1.00000   0.01773
O1*   0.35180   0.39500   0.03080   1.00000   0.01773
O2   0.42890   0.12550   0.35370   1.00000   0.02533
O2*   0.42590   0.37450   0.35500   1.00000   0.02533
O3   0.78110   0.12190   0.54540   1.00000   0.02153
O3*   0.78070   0.37860   0.54660   1.00000   0.01900
O4   0.44140   0.13850   0.70800   1.00000   0.02406
O4*   0.44190   0.36090   0.70920   1.00000   0.02533
O5   0.07740   0.08980   0.77110   1.00000   0.02660
O5*   0.07580   0.41040   0.76910   1.00000   0.02533
O6   0.23480   0.99850   0.24440   1.00000   0.03293
O6*   0.23460   0.50140   0.24850   1.00000   0.03166
O7   0.38070   0.98880   0.79870   1.00000   0.01646
O7*   0.38220   0.51150   0.79860   1.00000   0.01773
O8   0.00000   0.00000   0.50000   1.00000   0.03673
O8*   0.00000   0.50000   0.50000   1.00000   0.03546
O9   0.56880   0.25010   0.50440   1.00000   0.03293
Sr   0.24861   0.25009   0.17502   0.50000   0.02204
Ba   0.24861   0.25009   0.17502   0.45000   0.02204
K   0.24861   0.25009   0.17502   0.01000   0.02204
Wat10   0.05690   0.25030   0.46670   1.00000   0.04686
Wat11   0.93400   0.14650   0.14460   1.00000   0.06079
Wat11*   0.93020   0.35350   0.14580   1.00000   0.06079
Wat12   0.59960   0.25040   0.02890   1.00000   0.05193
Wat13   0.08100   0.24990   0.86190   1.00000   0.05066