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 = 5.145 GPa ; _database_code_amcsd 0019072 _chemical_compound_source 'Merelani Hills, Tanzania' _chemical_formula_sum 'Si3 Al3 Ca2 O13 H' _cell_length_a 16.0845 _cell_length_b 5.477 _cell_length_c 9.8785 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 870.245 _exptl_crystal_density_diffrn 3.468 _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 0.41005 0.75000 0.27940 0.01130 Si2 0.08054 0.25000 0.10540 0.00970 Si3 0.16001 0.25000 0.43500 0.00950 Al12 0.24907 0.99830 0.18750 0.01000 Al3 0.10516 0.75000 0.30000 0.00910 Ca1 0.36545 0.25000 0.43630 0.01370 Ca2 0.45426 0.25000 0.11130 0.01120 O1 0.12800 0.99310 0.14780 0.01310 O2 0.10120 0.01400 0.43200 0.01480 O3 0.35880 0.99480 0.24090 0.01370 O4 0.21980 0.75000 0.30360 0.00930 O5 0.22770 0.25000 0.31190 0.01000 O6 0.27080 0.75000 0.05790 0.00770 O7 0.99050 0.25000 0.16830 0.01780 O8 0.99550 0.75000 0.30130 0.01170 O9 0.42080 0.75000 0.44240 0.02800 O-H10 0.26130 0.25000 0.06660 0.01010