data_global
_chemical_name_mineral '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
;
_database_code_amcsd 0009605
_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
_exptl_crystal_density_diffrn      2.389
_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
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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr 0.01858 0.01408 0.01273 0.00000 0.00133 0.00000
Ba 0.01858 0.01408 0.01273 0.00000 0.00133 0.00000
K 0.01858 0.01408 0.01273 0.00000 0.00133 0.00000
Al(A) 0.01254 0.02034 0.00879 0.00060 0.00053 0.00000
Si(A) 0.01254 0.02034 0.00879 0.00060 0.00053 0.00000
Al(B) 0.01580 0.01877 0.01091 0.00060 0.00133 0.00069
Si(B) 0.01580 0.01877 0.01091 0.00060 0.00133 0.00069
Al(C) 0.01487 0.01721 0.00940 0.00121 0.00186 0.00138
Si(C) 0.01487 0.01721 0.00940 0.00121 0.00186 0.00138
Si(D) 0.01162 0.01564 0.01091 0.00121 0.00000 -0.00069
O1 0.02834 0.02816 0.01121 -0.00181 0.00239 -0.00138
O2 0.02416 0.04537 0.01879 0.00482 0.00239 -0.00895
O3 0.02230 0.02972 0.02152 0.00784 0.00318 0.00620
O4 0.02718 0.03285 0.01637 0.00060 0.00769 0.00413
O5 0.01882 0.03911 0.02940 0.01326 -0.00584 -0.01377
O6 0.03229 0.03442 0.03879 -0.00723 0.00584 0.01446
O7 0.02184 0.02503 0.02243 0.00362 0.00133 -0.00275
O8 0.04391 0.04693 0.02910 0.01748 -0.00398 -0.02066
O9 0.04739 0.02190 0.04061 0.00000 0.02362 0.00000
Wat1 0.05947 0.06258 0.03728 0.00000 0.01672 0.00000
Wat2 0.05436 0.07040 0.09062 0.00422 0.02096 0.02410
Wat3 0.04298 0.05788 0.06789 0.00000 0.01778 0.00000
Wat4 0.09176 0.03442 0.03394 0.00000 -0.00451 0.00000