#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007622.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_9007622
_chemical_name 'Brewsterite-Sr'
loop_
_publ_author_name
'Schlenker J L'
'Pluth J J'
'Smith J V'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 33
_journal_year 1977
_journal_page_first 2907
_journal_page_last 2910
_publ_section_title
;
 Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O
;
_chemical_formula_sum 'Sr.71 Ba.24 K.01 Al2 Si6 O21 H10'
_cell_length_a 6.793
_cell_length_b 17.573
_cell_length_c 7.759
_cell_angle_alpha 90
_cell_angle_beta 94.54
_cell_angle_gamma 90
_cell_volume 923.312
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr   0.25010   0.25000   0.17800   0.71000
Ba   0.25010   0.25000   0.17800   0.24000
K   0.25010   0.25000   0.17800   0.01000
Al(A)   0.32180   0.08120   0.82240   0.27000
Si(A)   0.32180   0.08120   0.82240   0.73000
Al(B)   0.40540   0.05660   0.21080   0.37000
Si(B)   0.40540   0.05660   0.21080   0.63000
Al(C)   0.55530   0.15820   0.53360   0.36000
Si(C)   0.55530   0.15820   0.53360   0.64000
Si(D)   0.90870   0.05280   0.64100   1.00000
O1   0.35010   0.10590   0.02830   1.00000
O2   0.42180   0.12400   0.36070   1.00000
O3   0.78250   0.12110   0.54540   1.00000
O4   0.45000   0.14080   0.71500   1.00000
O5   0.08500   0.09200   0.76150   1.00000
O6   0.22280   0.99660   0.23880   1.00000
O7   0.38510   0.99210   0.79520   1.00000
O8   0.00000   0.00000   0.50000   1.00000
O9   0.57180   0.25000   0.49940   1.00000
Wat1   0.05980   0.25000   0.46990   1.00000
Wat2   0.92860   0.14740   0.15180   1.00000
Wat3   0.59960   0.25000   0.02410   1.00000
Wat4   0.06650   0.25000   0.86600   1.00000