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: GOS1, from the sample rim ; _database_code_amcsd 0005892 _chemical_compound_source 'Goslarn, Austria' _chemical_formula_sum 'Na.71 Ca.1 K.001 Al6.405 Mg2.163 Fe.39 Ti.09 Si5.952 B3 O30.97 F.03 H3.05' _cell_length_a 15.9238 _cell_length_b 15.9238 _cell_length_c 7.1822 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1577.181 _exptl_crystal_density_diffrn 3.066 _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 0.71000 0.02078 CaX 0.00000 0.00000 0.75000 0.10000 0.02078 KX 0.00000 0.00000 0.75000 0.00100 0.02078 AlY 0.87622 0.93811 0.34550 0.47300 0.01107 MgY 0.87622 0.93811 0.34550 0.36700 0.01107 Fe2+Y 0.87622 0.93811 0.34550 0.13000 0.01107 TiY 0.87622 0.93811 0.34550 0.03000 0.01107 AlZ 0.70221 0.73856 0.36821 0.82300 0.00745 MgZ 0.70221 0.73856 0.36821 0.17700 0.00745 SiT 0.80826 0.81018 0.97891 0.99200 0.00682 AlT 0.80826 0.81018 0.97891 0.00800 0.00682 B 0.89015 0.78031 0.52491 1.00000 0.00852 O1 0.00000 0.00000 0.20634 0.92000 0.01565 O-H1 0.00000 0.00000 0.20634 0.05000 0.01565 F1 0.00000 0.00000 0.20634 0.03000 0.01565 O2 0.93909 0.87818 0.49222 1.00000 0.01398 O3 0.73740 0.86870 0.46854 1.00000 0.01517 O4 0.90658 0.81316 0.90805 1.00000 0.01235 O5 0.81520 0.90760 0.88624 1.00000 0.01260 O6 0.80465 0.81492 0.20231 1.00000 0.01067 O7 0.71468 0.71484 0.90080 1.00000 0.01027 O8 0.79065 0.72980 0.53925 1.00000 0.01139 H3 0.73910 0.86950 0.58620 1.00000 0.04300