data_global
_chemical_name_mineral 'Brewsterite-Ba'
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: {610} sector
;
_database_code_amcsd 0001844
_chemical_formula_sum 'Si5.85 Al2.15 Sr.4 Ba.55 K.01 O21 H10'
_cell_length_a 6.779
_cell_length_b 17.530
_cell_length_c 7.750
_cell_angle_alpha 89.98
_cell_angle_beta 94.49
_cell_angle_gamma 90.13
_cell_volume 918.149
_exptl_crystal_density_diffrn      2.457
_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   0.32180   0.08060   0.82290   0.75000   0.01203
AlTa   0.32180   0.08060   0.82290   0.25000   0.01203
SiTa*   0.32050   0.41850   0.82230   0.70000   0.01203
AlTa*   0.32050   0.41850   0.82230   0.30000   0.01203
SiTb   0.40600   0.05680   0.21150   0.65000   0.01381
AlTb   0.40600   0.05680   0.21150   0.35000   0.01381
SiTb*   0.40550   0.44320   0.21050   0.55000   0.01381
AlTb*   0.40550   0.44320   0.21050   0.45000   0.01381
SiTc   0.55600   0.15830   0.53400   0.50000   0.01279
AlTc   0.55600   0.15830   0.53400   0.50000   0.01279
SiTc*   0.55420   0.34210   0.53330   0.70000   0.01140
AlTc*   0.55420   0.34210   0.53330   0.30000   0.01140
SiTd   0.90850   0.05280   0.64070   1.00000   0.01191
SiTd*   0.90770   0.44720   0.64110   1.00000   0.01140
Sr   0.24969   0.25010   0.17711   0.40000   0.02026
BaM   0.24969   0.25010   0.17711   0.55000   0.02026
KM   0.24969   0.25010   0.17711   0.01000   0.02026
O1   0.35060   0.10450   0.02880   1.00000   0.01900
O1*   0.34940   0.39360   0.02850   1.00000   0.01773
O2   0.42340   0.12430   0.35920   1.00000   0.02533
O2*   0.42180   0.37610   0.36190   1.00000   0.02406
O3   0.78550   0.12160   0.54630   1.00000   0.02280
O3*   0.78060   0.37970   0.54490   1.00000   0.01900
O4   0.44970   0.14060   0.71600   1.00000   0.02280
O4*   0.45010   0.35890   0.71200   1.00000   0.02280
O5   0.08480   0.09000   0.76370   1.00000   0.02533
O5*   0.08340   0.40760   0.76060   1.00000   0.02406
O6   0.22500   0.99670   0.24120   1.00000   0.03293
O6*   0.22130   0.50300   0.23890   1.00000   0.03166
O7   0.38540   0.99120   0.79480   1.00000   0.02026
O7*   0.38470   0.50810   0.79610   1.00000   0.01900
O8   0.00000   0.00000   0.50000   1.00000   0.03800
O8*   0.00000   0.50000   0.50000   1.00000   0.03546
O9   0.57150   0.25120   0.49910   1.00000   0.03040
Wat10   0.05800   0.25070   0.47000   1.00000   0.04559
Wat11   0.92850   0.14610   0.15060   1.00000   0.06206
Wat11*   0.92520   0.35430   0.14930   1.00000   0.06206
Wat12   0.60310   0.24900   0.02380   1.00000   0.06206
Wat13   0.06390   0.24940   0.86310   1.00000   0.06206