data_global _chemical_name_mineral 'Sanjuanite' loop_ _publ_author_name 'Colombo F' 'Rius J' 'Pannunzio-Miner E V' 'Pedregosa J C' 'Cami G E' 'Carbonio R E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 835 _journal_page_last 847 _publ_section_title ; Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina ; _database_code_amcsd 0018459 _chemical_compound_source 'Pensylvanian slates belonging to Los Jejenes Formation at the' _chemical_formula_sum 'Al2 P S O18 H19' _cell_length_a 13.9163 _cell_length_b 17.2422 _cell_length_c 6.1125 _cell_angle_alpha 90 _cell_angle_beta 98.255 _cell_angle_gamma 90 _cell_volume 1451.484 _exptl_crystal_density_diffrn 1.941 _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 Al1 -0.10990 0.11550 0.59440 0.05193 Al2 0.18090 0.06880 0.20900 0.05193 P 0.12120 0.04630 0.68550 0.05193 S 0.12640 0.34590 0.41540 0.05193 O1 0.07300 0.38680 0.57330 0.05193 O2 0.11570 0.37950 0.19020 0.05193 O3 0.23120 0.34940 0.51230 0.05193 O4 0.09680 0.26350 0.39560 0.05193 O5 0.10900 -0.04250 0.63970 0.05193 O6 0.17810 0.08260 0.51380 0.05193 O7 0.02760 0.10100 0.66460 0.05193 O8 0.17480 0.05470 0.92490 0.05193 O-H9 -0.15070 0.03990 0.79030 0.05193 Wat10 -0.07900 0.19810 0.40800 0.05193 Wat11 -0.24320 0.13850 0.48600 0.05193 Wat12 -0.11040 0.19300 0.81850 0.05193 Wat13 0.32080 0.05240 0.22960 0.05193 Wat14 0.04690 0.09930 0.14030 0.05193 Wat15 0.21490 0.17980 0.18600 0.05193 Wat16 -0.01730 0.33000 0.86850 0.10765 Wat17 -0.10280 0.45120 0.23610 0.10765 Wat18 0.30530 0.19400 0.80010 0.10765