data_global _chemical_name_mineral 'Clinozoisite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 61 _journal_page_last 68 _publ_section_title ; The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 19.4 kbar ; _database_code_amcsd 0001857 _chemical_formula_sum 'Ca2 Si3 Al2.79 Fe.21 O13' _cell_length_a 8.840 _cell_length_b 5.566 _cell_length_c 10.070 _cell_angle_alpha 90 _cell_angle_beta 115.5 _cell_angle_gamma 90 _cell_volume 447.212 _exptl_crystal_density_diffrn 3.412 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca1 0.76110 0.75000 0.15540 1.00000 0.00810 Ca2 0.60690 0.75000 0.42550 1.00000 0.01100 Si1 0.33980 0.75000 0.04820 1.00000 0.00480 Si2 0.67970 0.25000 0.27550 1.00000 0.00650 Si3 0.18210 0.75000 0.31640 1.00000 0.00420 Al1 0.00000 0.00000 0.00000 1.00000 0.00600 Al2 0.00000 0.00000 0.50000 1.00000 0.00580 Al3 0.29040 0.25000 0.22430 0.79000 0.00620 Fe3 0.29040 0.25000 0.22430 0.21000 0.00620 O1 0.23530 0.99770 0.04500 1.00000 0.00600 O2 0.30400 0.98630 0.35500 1.00000 0.00800 O3 0.79000 0.01280 0.34700 1.00000 0.00900 O4 0.05200 0.25000 0.13000 1.00000 0.00600 O5 0.03900 0.75000 0.14200 1.00000 0.00500 O6 0.06300 0.75000 0.40400 1.00000 0.00800 O7 0.51900 0.75000 0.18100 1.00000 0.00900 O8 0.51300 0.25000 0.30000 1.00000 0.00700 O9 0.63400 0.25000 0.10000 1.00000 0.01800 O10 0.07800 0.25000 0.42500 1.00000 0.00400