data_global _chemical_name_mineral 'Olenite' loop_ _publ_author_name 'Hughes J M' 'Ertl A' 'Dyar M D' 'Grew E S' 'Wieden-beck M' 'Brandstatter F' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 447 _journal_page_last 454 _publ_section_title ; Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 ; _database_code_amcsd 0003448 _chemical_compound_source 'Koralpe, Austria' _chemical_formula_sum 'Na.545 Ca.245 Al8.061 Fe.669 Li.225 Mg.039 Mn.021 Ti.012 Si5.352 Be.024 B3.354 O31 H3.25' _cell_length_a 15.8472 _cell_length_b 15.8472 _cell_length_c 7.0988 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1543.905 _exptl_crystal_density_diffrn 3.122 _symmetry_space_group_name_H-M 'R 3 m' 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' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,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 NaX 0.00000 0.00000 0.25000 0.54500 0.01780 CaX 0.00000 0.00000 0.25000 0.24500 0.01780 AlY 0.12142 0.06071 -0.33189 0.59700 0.00980 Fe2Y 0.12142 0.06071 -0.33189 0.22300 0.00980 LiY 0.12142 0.06071 -0.33189 0.07500 0.00980 MgY 0.12142 0.06071 -0.33189 0.01300 0.00980 Mn2Y 0.12142 0.06071 -0.33189 0.00700 0.00980 TiY 0.12142 0.06071 -0.33189 0.00400 0.00980 AlZ 0.29709 0.26061 -0.36039 1.00000 0.00870 SiT 0.19179 0.18986 0.03137 0.89200 0.00740 AlT 0.19179 0.18986 0.03137 0.04500 0.00740 BeT 0.19179 0.18986 0.03137 0.00400 0.00740 BT 0.19179 0.18986 0.03137 0.05900 0.00740 B 0.10938 0.21876 0.48285 1.00000 0.00900 O1 0.00000 0.00000 -0.19300 0.75000 0.02570 O-H1 0.00000 0.00000 -0.19300 0.25000 0.02570 O2 0.06044 0.12088 0.51700 1.00000 0.01840 O3 0.26340 0.13169 -0.46150 1.00000 0.01450 O4 0.09357 0.18715 0.10450 1.00000 0.01350 O5 0.18620 0.09310 0.12640 1.00000 0.01420 O6 0.19538 0.18497 -0.19500 1.00000 0.01080 O7 0.28663 0.28622 0.10840 1.00000 0.01010 O8 0.20935 0.27011 0.46850 1.00000 0.01060 H3 0.26200 0.13100 0.41600 1.00000 0.05000