data_global _chemical_name_mineral 'Olenite' loop_ _publ_author_name 'Ertl A' 'Hughes J M' 'Brandstatter F' 'Dyar M D' 'Prasad P S R' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1363 _journal_page_last 1370 _publ_section_title ; Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: A chemical, structural, and infrared spectroscopic study Sample: GOS2, from the sample core ; _database_code_amcsd 0005893 _chemical_compound_source 'Goslarn, Austria' _chemical_formula_sum 'Na.64 Ca.11 K.002 Al6.483 Mg2.007 Fe.411 Ti.099 Si6 B3 O30.97 F.03 H3.07' _cell_length_a 15.9149 _cell_length_b 15.9149 _cell_length_c 7.1757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1573.993 _exptl_crystal_density_diffrn 3.072 _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 0.75000 0.64000 0.02086 CaX 0.00000 0.00000 0.75000 0.11000 0.02086 KX 0.00000 0.00000 0.75000 0.00200 0.02086 AlY 0.87654 0.93827 0.34333 0.52700 0.01095 MgY 0.87654 0.93827 0.34333 0.30300 0.01095 Fe2+Y 0.87654 0.93827 0.34333 0.13700 0.01095 TiY 0.87654 0.93827 0.34333 0.03300 0.01095 AlZ 0.70223 0.73860 0.36690 0.81700 0.00768 MgZ 0.70223 0.73860 0.36690 0.18300 0.00768 SiT 0.80830 0.81022 0.97725 1.00000 0.00705 B 0.89020 0.78039 0.52361 1.00000 0.00889 O1 0.00000 0.00000 0.20486 0.90000 0.01615 O-H1 0.00000 0.00000 0.20486 0.07000 0.01615 F1 0.00000 0.00000 0.20486 0.03000 0.01615 O2 0.93914 0.87828 0.49029 1.00000 0.01410 O3 0.73798 0.86899 0.46729 1.00000 0.01588 O4 0.90653 0.81305 0.90640 1.00000 0.01258 O5 0.81492 0.90746 0.88442 1.00000 0.01288 O6 0.80489 0.81514 0.20088 1.00000 0.01099 O7 0.71460 0.71479 0.89954 1.00000 0.01051 O8 0.79076 0.72985 0.53808 1.00000 0.01183 H3 0.74050 0.87030 0.58310 1.00000 0.04400