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 = 1.144 GPa ; _database_code_amcsd 0019073 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.1760 _cell_length_b 5.5342 _cell_length_c 10.0007 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 895.275 _exptl_crystal_density_diffrn 3.371 _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 0.41099 0.75000 0.28210 0.00600 Si2 0.08098 0.25000 0.10590 0.00650 Si3 0.16030 0.25000 0.43490 0.00610 Al12 0.24938 0.99780 0.18950 0.00590 Al3 0.10568 0.75000 0.30000 0.00680 Ca1 0.36624 0.25000 0.43700 0.00990 Ca2 0.45266 0.25000 0.11390 0.00840 O1 0.13020 0.99690 0.14650 0.00890 O2 0.10130 0.01390 0.42970 0.00970 O3 0.35880 0.99130 0.24430 0.00680 O4 0.21830 0.75000 0.30110 0.00830 O5 0.22740 0.25000 0.31150 0.00570 O6 0.27140 0.75000 0.05960 0.00640 O7 0.99090 0.25000 0.16530 0.00910 O8 0.99670 0.75000 0.29650 0.00940 O9 0.42000 0.75000 0.44460 0.02050 O-H10 0.26680 0.25000 0.07250 0.01010