data_global _chemical_name_mineral 'Zeophyllite' loop_ _publ_author_name 'Merlino S' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 28 _journal_year 1972 _journal_page_first 2726 _journal_page_last 2732 _publ_section_title ; The crystal structure of zeophyllite ; _database_code_amcsd 0009455 _chemical_compound_source 'Radzein, Bohemia, Czech Republic' _chemical_formula_sum 'Ca12.098 Al.7 Mg.1 Na.102 Si10 O35.6 F8.4 H13' _cell_length_a 9.36 _cell_length_b 9.36 _cell_length_c 36.48 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2767.815 _exptl_crystal_density_diffrn 2.757 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 0.00000 0.00000 0.00000 0.20000 0.00899 Al1 0.00000 0.00000 0.00000 0.70000 0.00899 Mg1 0.00000 0.00000 0.00000 0.10000 0.00899 Ca2 0.43230 0.14730 0.01308 1.00000 0.00887 Ca3 0.46120 0.35600 0.09470 0.98300 0.01140 Na3 0.46120 0.35600 0.09470 0.01700 0.01140 Si1 0.00000 0.00000 0.11677 1.00000 0.00975 Si2 0.08980 0.30240 0.07305 1.00000 0.00912 Si3 0.33333 0.66667 0.06531 1.00000 0.00925 O1 0.00000 0.00000 0.16057 1.00000 0.02343 O2 0.13020 0.18550 0.09984 1.00000 0.01279 O3 0.25890 0.48040 0.08136 1.00000 0.01203 O4 0.37900 0.07550 0.08314 1.00000 0.01659 O5 0.08030 0.25140 0.03042 1.00000 0.01077 O6 0.33333 0.66667 0.02123 1.00000 0.01634 F1 0.43920 0.38990 0.03009 1.00000 0.01393 F2 0.66667 0.33333 0.05399 0.70000 0.00735 Of2 0.66667 0.33333 0.05399 0.30000 0.00735 F3 0.66667 0.33333 0.12641 0.50000 0.01773 O-Hf3 0.66667 0.33333 0.12641 0.50000 0.01773 Wat7 0.44590 0.46070 0.15377 1.00000 0.04028