data_global
_chemical_name_mineral 'Jurbanite'
loop_
_publ_author_name
'Sabelli C'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 173 
_journal_year 1985
_journal_page_first 33
_journal_page_last 39
_publ_section_title
;
 Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O
;
_database_code_amcsd 0010939
_chemical_compound_source 'Cetine mine, Tuscany, Italy'
_chemical_formula_sum 'Al S O10 H11'
_cell_length_a 8.3965
_cell_length_b 12.479
_cell_length_c 8.1549
_cell_angle_alpha 90
_cell_angle_beta 101.917
_cell_angle_gamma 90
_cell_volume 836.054
_exptl_crystal_density_diffrn      1.828
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al   0.11580   0.51060   0.15360   0.01596
S   0.13580   0.81510   0.78660   0.01748
O6   0.18990   0.71230   0.72490   0.02888
O7   0.07890   0.88420   0.63950   0.03217
O8   0.27730   0.86750   0.89680   0.02622
O9   0.00690   0.80000   0.87840   0.02419
O-h1   0.03250   0.40750  -0.00420   0.01684
Ow2   0.25690   0.41750   0.30030   0.02938
Ow3   0.19320   0.62880   0.29160   0.02888
Ow4  -0.03460   0.48140   0.29290   0.01988
Ow5   0.28900   0.53160   0.03670   0.01773
Ow10   0.02230   0.80270   0.31430   0.03217
H1   0.00100   0.34500   0.01300   0.05066
H21   0.23800   0.40000   0.41000   0.05066
H22   0.35400   0.38300   0.29000   0.05066
H31   0.13600   0.68800   0.31000   0.05066
H32   0.29900   0.64300   0.35400   0.05066
H41  -0.10000   0.52000   0.35500   0.05066
H42  -0.09000   0.41000   0.28500   0.05066
H51   0.39500   0.55700   0.08000   0.05066
H52   0.32000   0.47800  -0.04000   0.05066
H101  -0.09700   0.80000   0.29000   0.05066
H102   0.04500   0.81800   0.42400   0.05066
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
Al 0.01453 0.01317 0.01909 0.00265 0.00110 0.00076
S 0.01357 0.01665 0.02148 -0.00031 0.00153 0.00177
O6 0.01915 0.01736 0.04870 -0.00416 0.00266 -0.01211
O7 0.02428 0.02998 0.04096 0.01143 0.00266 0.02421
O8 0.01675 0.02840 0.03096 -0.01506 -0.00199 -0.00252
O9 0.01470 0.02525 0.03451 0.00623 0.01029 0.01059
O-h1 0.01436 0.00473 0.02935 -0.00104 0.00000 -0.00050
Ow2 0.02017 0.03629 0.03064 0.02026 0.00266 0.00807
Ow3 0.02120 0.01657 0.04709 0.00156 0.00232 -0.01160
Ow4 0.01675 0.01262 0.03258 -0.00312 0.00930 -0.00303
Ow5 0.01060 0.01815 0.02613 -0.00364 0.00731 -0.00454
Ow10 0.02154 0.02130 0.05419 -0.00883 0.00897 -0.01312