data_global
_chemical_name_mineral 'Brewsterite-Ba'
loop_
_publ_author_name
'Cabella R'
'Lucchetti G'
'Palenzona A'
'Quartieri S'
'Vezzalini G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 5 
_journal_year 1993
_journal_page_first 353
_journal_page_last 360
_publ_section_title
;
 First occurrence of a Ba-dominant brewsterite: structural features
;
_database_code_amcsd 0006480
_chemical_formula_sum 'Ba.9 Na.035 K.02 Mg.04 Al2.1 Si5.9 O20.88 H9.76'
_cell_length_a 6.790
_cell_length_b 17.581
_cell_length_c 7.735
_cell_angle_alpha 90
_cell_angle_beta 94.50
_cell_angle_gamma 90
_cell_volume 920.519
_exptl_crystal_density_diffrn      2.498
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_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
_atom_site_U_iso_or_equiv
BaBA1   0.24580   0.25000   0.17340   0.82000   0.01646
NaBA1   0.24580   0.25000   0.17340   0.03500   0.01646
KBA1   0.24580   0.25000   0.17340   0.02000   0.01646
MgBA1   0.24580   0.25000   0.17340   0.04000   0.01646
BaBA2   0.26400   0.25000   0.04300   0.04000   0.05066
BaBA3   0.21100   0.25000   0.29700   0.04000   0.05066
AlTA   0.32150   0.08030   0.82300   0.35000   0.01393
SiTA   0.32150   0.08030   0.82300   0.65000   0.01393
AlTB   0.40700   0.05660   0.21160   0.35000   0.01393
SiTB   0.40700   0.05660   0.21160   0.65000   0.01393
AlTC   0.55340   0.15810   0.53490   0.35000   0.01140
SiTC   0.55340   0.15810   0.53490   0.65000   0.01140
SiTD   0.90670   0.05260   0.64120   1.00000   0.01393
O1   0.35370   0.10340   0.02800   1.00000   0.01646
O2   0.42600   0.12220   0.36000   1.00000   0.02280
O3   0.78400   0.12120   0.54700   1.00000   0.02153
O4   0.44600   0.14030   0.71400   1.00000   0.02280
O5   0.08100   0.09110   0.76500   1.00000   0.03166
O6   0.22700   0.99690   0.24000   1.00000   0.03293
O7   0.38300   0.99200   0.79500   1.00000   0.02153
O8   0.00000   0.00000   0.50000   1.00000   0.03546
O9   0.56400   0.25000   0.50100   1.00000   0.02660
Wat1   0.05100   0.25000   0.46900   0.96000   0.04053
Wat2   0.92000   0.14140   0.14200   1.00000   0.06333
Wat3   0.60700   0.25000   0.02200   0.96000   0.05193
Wat4   0.06000   0.25000   0.85400   0.96000   0.04433