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. = Au44, X(Sr) = .87 ; _database_code_amcsd 0004396 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Sr1.74 Ca.26) Al3 Si3 O13 H' _cell_length_a 16.3376 _cell_length_b 5.5936 _cell_length_c 10.2407 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 935.857 _exptl_crystal_density_diffrn 3.812 _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_occupancy SrA1 0.36850 0.25000 0.44080 0.82000 CaA1 0.36850 0.25000 0.44080 0.18000 SrA2 0.45690 0.25000 0.11080 0.92000 CaA2 0.45690 0.25000 0.11080 0.08000 Al1 0.25310 0.99720 0.18890 1.00000 Al2 0.10910 0.75000 0.29760 1.00000 Si1 0.08570 0.25000 0.10340 1.00000 Si2 0.41210 0.75000 0.28360 1.00000 Si3 0.16370 0.25000 0.43040 1.00000 O1 0.13490 0.00190 0.14920 1.00000 O2 0.10730 0.01860 0.42140 1.00000 O3 0.36210 0.98300 0.24170 1.00000 O4 0.22390 0.75000 0.29940 1.00000 O5 0.23040 0.25000 0.31060 1.00000 O6 0.27410 0.75000 0.05860 1.00000 O7 0.99660 0.25000 0.15570 1.00000 O8 0.00500 0.75000 0.28380 1.00000 O9 0.41580 0.75000 0.44720 1.00000 O10 0.27210 0.25000 0.07860 1.00000 H 0.26000 0.25000 0.95000 1.00000