data_global _chemical_name_mineral 'Zoisite' loop_ _publ_author_name 'Dollase W A' _journal_name_full 'American Mineralogist' _journal_volume 53 _journal_year 1968 _journal_page_first 1882 _journal_page_last 1898 _publ_section_title ; Refinement and comparison of the structures of zoisite and clinozoisite ; _database_code_amcsd 0000184 _chemical_formula_sum 'Ca2 Si3 Al3 H O13' _cell_length_a 16.212 _cell_length_b 5.559 _cell_length_c 10.036 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 904.470 _exptl_crystal_density_diffrn 3.337 _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 Ca1 0.36670 0.25000 0.43760 0.00912 Ca2 0.45180 0.25000 0.11500 0.01077 Si1 0.08160 0.25000 0.10640 0.00380 Si2 0.41040 0.75000 0.28210 0.00507 Si3 0.16010 0.25000 0.43560 0.00760 Al12 0.24960 0.99710 0.18990 0.00671 Al3 0.10540 0.75000 0.30060 0.00380 H 0.26000 0.25000 0.95000 0.00633 O1 0.13170 0.00000 0.14510 0.00507 O2 0.10120 0.01500 0.43000 0.00633 O3 0.35840 0.99000 0.24520 0.00507 O4 0.21780 0.75000 0.30100 0.00507 O5 0.22730 0.25000 0.31200 0.00253 O6 0.27130 0.75000 0.06000 0.00380 O7 0.99050 0.25000 0.16400 0.00507 O8 0.99540 0.75000 0.29500 0.00760 O9 0.42090 0.75000 0.44300 0.00887 O10 0.26800 0.25000 0.07400 0.00887