data_global _chemical_name_mineral 'Chukhrovite-(Y)' loop_ _publ_author_name 'Bokiy G B' 'Gorogotskaya L I' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 163 _journal_year 1965 _journal_page_first 92 _journal_page_last 94 _publ_section_title ; The crystal structure of chukrovite ; _database_code_amcsd 0012445 _chemical_compound_source 'Central Kazakhstan' _chemical_formula_sum '(Ca3 Y) Al2 S O15.004 F12.996 H22.008' _cell_length_a 16.80 _cell_length_b 16.80 _cell_length_c 16.80 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4741.631 _exptl_crystal_density_diffrn 2.253 _symmetry_space_group_name_H-M 'F d 3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+z,1/4+x,1/4-y' '1/4+z,3/4+x,3/4-y' '3/4+z,1/4+x,3/4-y' '3/4+z,3/4+x,1/4-y' '1/4+z,1/4-x,1/4+y' '1/4+z,3/4-x,3/4+y' '3/4+z,1/4-x,3/4+y' '3/4+z,3/4-x,1/4+y' '1/4-z,1/4+x,1/4+y' '1/4-z,3/4+x,3/4+y' '3/4-z,1/4+x,3/4+y' '3/4-z,3/4+x,1/4+y' '1/4-z,1/4-x,1/4-y' '1/4-z,3/4-x,3/4-y' '3/4-z,1/4-x,3/4-y' '3/4-z,3/4-x,1/4-y' 'y,-z,-x' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' '-y,-z,x' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-y,z,-x' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '1/4+x,1/4+y,1/4-z' '1/4+x,3/4+y,3/4-z' '3/4+x,1/4+y,3/4-z' '3/4+x,3/4+y,1/4-z' '1/4-x,1/4-y,1/4-z' '1/4-x,3/4-y,3/4-z' '3/4-x,1/4-y,3/4-z' '3/4-x,3/4-y,1/4-z' '-z,-x,y' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-z,x,-y' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' 'z,-x,-y' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' '1/4-y,1/4+z,1/4+x' '1/4-y,3/4+z,3/4+x' '3/4-y,1/4+z,3/4+x' '3/4-y,3/4+z,1/4+x' '1/4+y,1/4+z,1/4-x' '1/4+y,3/4+z,3/4-x' '3/4+y,1/4+z,3/4-x' '3/4+y,3/4+z,1/4-x' '1/4+y,1/4-z,1/4+x' '1/4+y,3/4-z,3/4+x' '3/4+y,1/4-z,3/4+x' '3/4+y,3/4-z,1/4+x' '1/4-y,1/4-z,1/4-x' '1/4-y,3/4-z,3/4-x' '3/4-y,1/4-z,3/4-x' '3/4-y,3/4-z,1/4-x' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca 0.08300 0.08300 0.41700 0.75000 Y 0.08300 0.08300 0.41700 0.25000 Al 0.12500 0.12500 0.62500 1.00000 S 0.00000 0.00000 0.00000 1.00000 O 0.04900 0.04900 0.95100 1.00000 F 0.07500 0.03200 0.65600 1.00000 Wat 0.06600 0.13400 0.27900 0.91700 Fw 0.06600 0.13400 0.27900 0.08300