data_global _chemical_name_mineral 'Zoisite' loop_ _publ_author_name 'Alvaro M' 'Angel R J' 'Camara F' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1165 _journal_page_last 1176 _publ_section_title ; High-pressure behavior of zoisite Note: P = .0001 GPa ; _database_code_amcsd 0019070 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.2004 _cell_length_b 5.5529 _cell_length_c 10.0423 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 903.397 _exptl_crystal_density_diffrn 3.341 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Si1 0.41075 0.75000 0.28280 0.00670 Si2 0.08147 0.25000 0.10610 0.00700 Si3 0.16030 0.25000 0.43550 0.00560 Al12 0.24952 0.99710 0.18950 0.00660 Al3 0.10596 0.75000 0.30050 0.00730 Ca1 0.36666 0.25000 0.43750 0.01090 Ca2 0.45185 0.25000 0.11500 0.01040 O1 0.13050 0.99980 0.14650 0.00940 O2 0.10140 0.01320 0.43020 0.00870 O3 0.35910 0.99170 0.24520 0.00790 O4 0.21900 0.75000 0.30140 0.00770 O5 0.22770 0.25000 0.31220 0.00870 O6 0.27180 0.75000 0.06000 0.00830 O7 0.99100 0.25000 0.16470 0.01030 O8 0.99690 0.75000 0.29380 0.00950 O9 0.42020 0.75000 0.44290 0.01900 O-H10 0.26770 0.25000 0.07430 0.00990