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 = 4.025 GPa ; _database_code_amcsd 0019075 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.1124 _cell_length_b 5.4917 _cell_length_c 9.9110 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 876.970 _exptl_crystal_density_diffrn 3.441 _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 0.41046 0.75000 0.27980 0.01080 Si2 0.08033 0.25000 0.10590 0.01170 Si3 0.15964 0.25000 0.43490 0.01110 Al12 0.24907 0.99750 0.18820 0.01040 Al3 0.10572 0.75000 0.30020 0.01130 Ca1 0.36572 0.25000 0.43600 0.01450 Ca2 0.45397 0.25000 0.11180 0.01250 O1 0.12880 0.99510 0.14710 0.01110 O2 0.10050 0.01460 0.43140 0.01250 O3 0.35910 0.99270 0.24300 0.01100 O4 0.21870 0.75000 0.30400 0.01310 O5 0.22690 0.25000 0.31230 0.01100 O6 0.27020 0.75000 0.05960 0.00980 O7 0.99070 0.25000 0.16650 0.01440 O8 0.99620 0.75000 0.29990 0.01300 O9 0.42170 0.75000 0.44220 0.02500 O-H10 0.26330 0.25000 0.06790 0.01410