data_global _chemical_name_mineral 'Olenite' loop_ _publ_author_name 'Cempirek J' 'Novak M' 'Ertl A' 'Hughes J M' 'Rossman G R' 'Dyar D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 23 _journal_page_last 60 _publ_section_title ; Fe-bearing olenite with tetrahedrally coordinated Al from an abyssal pegmatite at Kutna Hora, Czech Republic: structure, crystal chemistry, optical and xanes spectra ; _database_code_amcsd 0006068 _chemical_compound_source 'Kutna Hora, Czech Republic' _chemical_formula_sum 'Na.54 Ca.14 K.01 Al8.46 Fe.78 Mn.06 Mg.12 Si5.58 B3 O31 F.01 H2.49' _cell_length_a 15.8838 _cell_length_b 15.8838 _cell_length_c 7.1056 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1552.531 _exptl_crystal_density_diffrn 3.158 _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 0.54000 0.02060 CaX 0.00000 0.00000 0.75000 0.14000 0.02060 KX 0.00000 0.00000 0.75000 0.01000 0.02060 AlY 0.87802 0.93901 0.33280 0.72000 0.00940 Fe2+Y 0.87802 0.93901 0.33280 0.26000 0.00940 Mn2+Y 0.87802 0.93901 0.33280 0.02000 0.00940 AlZ 0.70287 0.73930 0.35950 0.98000 0.00786 MgZ 0.70287 0.73930 0.35950 0.02000 0.00786 SiT 0.80806 0.81011 0.96670 0.93000 0.00628 AlT 0.80806 0.81011 0.96670 0.07000 0.00628 B 0.89037 0.78075 0.51620 1.00000 0.00940 O1W 0.00000 0.00000 0.19650 0.99000 0.02260 FW 0.00000 0.00000 0.19650 0.01000 0.02260 O2 0.93921 0.87843 0.47940 1.00000 0.01640 O3V 0.73841 0.86921 0.46050 1.00000 0.01420 O4 0.90572 0.81145 0.89480 1.00000 0.01410 O5 0.81252 0.90626 0.87170 1.00000 0.01470 O6 0.80460 0.81545 0.19440 1.00000 0.01100 O7 0.71296 0.71324 0.89100 1.00000 0.00969 O8 0.79067 0.72982 0.53090 1.00000 0.01070 H3V 0.74100 0.87030 0.58000 0.41500 0.05900