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 = 7.766 GPa ; _database_code_amcsd 0019071 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.0271 _cell_length_b 5.4473 _cell_length_c 9.8119 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 856.622 _exptl_crystal_density_diffrn 3.523 _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 0.41043 0.75000 0.27880 0.01140 Si2 0.07990 0.25000 0.10480 0.01080 Si3 0.16003 0.25000 0.43530 0.01140 Al12 0.24854 0.99850 0.18650 0.01120 Al3 0.10530 0.75000 0.29990 0.01010 Ca1 0.36508 0.25000 0.43530 0.01470 Ca2 0.45543 0.25000 0.10940 0.01110 O1 0.12780 0.99330 0.14660 0.01370 O2 0.10150 0.01160 0.43280 0.01480 O3 0.35860 0.99580 0.23900 0.01440 O4 0.21910 0.75000 0.30380 0.00950 O5 0.22750 0.25000 0.31130 0.01110 O6 0.26900 0.75000 0.05760 0.01060 O7 0.98990 0.25000 0.17120 0.01770 O8 0.99470 0.75000 0.30500 0.01640 O9 0.42040 0.75000 0.44200 0.03100 O-H10 0.26050 0.25000 0.06460 0.01120