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 = 6.511 GPa ; _database_code_amcsd 0019077 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.0539 _cell_length_b 5.4609 _cell_length_c 9.8437 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 862.985 _exptl_crystal_density_diffrn 3.497 _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 0.41022 0.75000 0.27960 0.01080 Si2 0.08005 0.25000 0.10580 0.01190 Si3 0.15990 0.25000 0.43560 0.00960 Al12 0.24902 0.99890 0.18730 0.01090 Al3 0.10533 0.75000 0.29930 0.01130 Ca1 0.36544 0.25000 0.43590 0.01410 Ca2 0.45481 0.25000 0.11030 0.01280 O1 0.12800 0.99360 0.14720 0.01220 O2 0.10090 0.01280 0.43210 0.01280 O3 0.35840 0.99400 0.24110 0.01130 O4 0.21940 0.75000 0.30330 0.01550 O5 0.22670 0.25000 0.31100 0.00720 O6 0.27020 0.75000 0.05750 0.01210 O7 0.98930 0.25000 0.16660 0.01850 O8 0.99530 0.75000 0.30240 0.01420 O9 0.42070 0.75000 0.44310 0.02800 O-H10 0.26210 0.25000 0.06600 0.01250