data_global _chemical_name_mineral 'Zoisite' loop_ _publ_author_name 'Dorsam G' 'Liebscher A' 'Franz G' 'Gottschalk M' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1133 _journal_page_last 1147 _publ_section_title ; Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au21, X(Sr) = 1 ; _database_code_amcsd 0004397 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sr2 Al3 Si3 O13 H' _cell_length_a 16.3548 _cell_length_b 5.5985 _cell_length_c 10.2600 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 939.430 _exptl_crystal_density_diffrn 3.885 _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 SrA1 0.36850 0.25000 0.44210 SrA2 0.45700 0.25000 0.11050 Al1 0.25330 0.99440 0.19120 Al2 0.11020 0.75000 0.29770 Si1 0.08760 0.25000 0.10570 Si2 0.41240 0.75000 0.28230 Si3 0.16340 0.25000 0.43110 O1 0.13610 0.00400 0.14960 O2 0.10710 0.01930 0.41880 O3 0.36310 0.97930 0.24090 O4 0.22260 0.75000 0.29520 O5 0.23040 0.25000 0.31320 O6 0.27620 0.75000 0.05880 O7 0.00180 0.25000 0.15930 O8 0.00560 0.75000 0.28390 O9 0.41460 0.75000 0.45030 O10 0.27420 0.25000 0.08090 H 0.26000 0.25000 0.95000