data_global
_chemical_name_mineral '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: {010} sector
;
_database_code_amcsd 0001845
_chemical_formula_sum '(Si5.85 Al2.15) Sr.67 Ba.24 K.01 O21 H10'
_cell_length_a 6.785
_cell_length_b 17.546
_cell_length_c 7.740
_cell_angle_alpha 89.98
_cell_angle_beta 94.25
_cell_angle_gamma 90.06
_cell_volume 918.910
_exptl_crystal_density_diffrn      2.387
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
SiTa   0.31920   0.07970   0.82290   0.65000   0.01748
AlTa   0.31920   0.07970   0.82290   0.35000   0.01748
SiTa*   0.31870   0.42010   0.82300   0.60000   0.01760
AlTa*   0.31870   0.42010   0.82300   0.40000   0.01760
SiTb   0.40930   0.05730   0.21100   0.80000   0.01786
AlTb   0.40930   0.05730   0.21100   0.20000   0.01786
SiTb*   0.40910   0.44250   0.21070   0.80000   0.01773
AlTb*   0.40910   0.44250   0.21070   0.20000   0.01773
SiTc   0.55500   0.15830   0.53350   0.50000   0.01735
AlTc   0.55500   0.15830   0.53350   0.50000   0.01735
SiTc*   0.55390   0.34210   0.53330   0.60000   0.01672
AlTc*   0.55390   0.34210   0.53330   0.40000   0.01672
SiTd   0.90650   0.05270   0.64150   0.95000   0.01760
AlTd   0.90650   0.05270   0.64150   0.05000   0.01760
SiTd*   0.90600   0.44740   0.64170   0.95000   0.01735
AlTd*   0.90600   0.44740   0.64170   0.05000   0.01735
Sr   0.24950   0.24969   0.17696   0.67000   0.01596
Ba   0.24950   0.24969   0.17696   0.24000   0.01596
K   0.24950   0.24969   0.17696   0.01000   0.01596
O1   0.35320   0.10510   0.03100   1.00000   0.02406
O1*   0.35330   0.39450   0.03150   1.00000   0.02406
O2   0.42400   0.12490   0.35620   1.00000   0.03420
O2*   0.42460   0.37530   0.35760   1.00000   0.03293
O3   0.78510   0.12260   0.54790   1.00000   0.02913
O3*   0.78200   0.37800   0.54650   1.00000   0.02786
O4   0.44570   0.14000   0.71300   1.00000   0.03166
O4*   0.44500   0.36040   0.71140   1.00000   0.03166
O5   0.08140   0.08980   0.76890   1.00000   0.03166
O5*   0.07980   0.40980   0.76770   1.00000   0.03040
O6   0.23130   0.99770   0.24170   1.00000   0.03926
O6*   0.23090   0.50200   0.24230   1.00000   0.03800
O7   0.38290   0.98990   0.79670   1.00000   0.02406
O7*   0.38270   0.51050   0.79640   1.00000   0.02533
O8   0.00000   0.00000   0.50000   1.00000   0.04813
O8*   0.00000   0.50000   0.50000   1.00000   0.04433
O9   0.56800   0.25030   0.50110   1.00000   0.03673
Wat10   0.05600   0.24970   0.46760   1.00000   0.05193
Wat11   0.93100   0.14700   0.14700   1.00000   0.07092
Wat11*   0.93000   0.35270   0.14800   1.00000   0.07092
Wat12   0.60300   0.24930   0.02900   1.00000   0.06586
Wat13   0.07600   0.24950   0.86280   1.00000   0.06079