data_global _chemical_name_mineral 'Alunogen' loop_ _publ_author_name 'Fang J H' 'Robinson P D' _journal_name_full 'American Mineralogist' _journal_volume 61 _journal_year 1976 _journal_page_first 311 _journal_page_last 317 _publ_section_title ; Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content ; _database_code_amcsd 0000518 _chemical_formula_sum 'S3 Al2 O29 H34' _cell_length_a 7.420 _cell_length_b 26.970 _cell_length_c 6.062 _cell_angle_alpha 89.67 _cell_angle_beta 97.34 _cell_angle_gamma 91.53 _cell_volume 1202.738 _exptl_crystal_density_diffrn 1.790 _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_U_iso_or_equiv S1 0.23270 0.93900 0.48130 0.01849 S2 0.24240 0.56070 0.48590 0.01558 S3 0.63340 0.74700 0.47400 0.03217 Al1 0.28030 0.09860 0.00120 0.01608 Al2 0.73670 0.59950 0.00290 0.01507 O1 0.37400 0.90430 0.44800 0.03546 O2 0.69700 0.02580 0.34000 0.02913 O3 0.92800 0.08860 0.45700 0.02913 O4 0.17500 0.96560 0.27100 0.03166 O5 0.69300 0.47380 0.33600 0.02913 O6 0.39100 0.59550 0.44700 0.02660 O7 0.90800 0.41140 0.44600 0.02533 O8 0.17400 0.53360 0.27900 0.02786 O9 0.23200 0.28140 0.38700 0.06079 O10 0.60400 0.72680 0.24900 0.04686 O11 0.70300 0.79810 0.46600 0.05319 O12 0.54300 0.25280 0.43700 0.08359 Wat1 0.81200 0.84150 0.11300 0.02913 Wat2 0.33400 0.12540 0.28900 0.02406 Wat3 0.37400 0.03790 0.11200 0.02280 Wat4 0.77100 0.93040 0.28500 0.02026 Wat5 0.48200 0.88290 0.05300 0.02406 Wat6 0.04600 0.07740 0.06200 0.02533 Wat7 0.82800 0.66030 0.12800 0.02533 Wat8 0.30300 0.37250 0.28200 0.02153 Wat9 0.02700 0.41790 0.04700 0.02533 Wat10 0.77700 0.56960 0.28700 0.01900 Wat11 0.49700 0.61450 0.05200 0.02153 Wat12 0.36100 0.46220 0.12100 0.01900 Watz1 0.70900 0.32490 0.20100 0.05573 Watz2 0.61100 0.21010 0.04300 0.07472 Watz3 0.00200 0.21640 0.10100 0.08992 Watz4 0.15200 0.69650 0.22900 0.09626 Watz5 0.14800 0.79700 0.43400 0.07852