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: T1 ; _database_code_amcsd 0003445 _chemical_compound_source 'Koralpe, Austria' _chemical_formula_sum 'Na.408 Ca.29 K.002 Al8.697 Li.366 Fe.084 Mn.009 Mg.006 Ti.006 Si4.992 B3.618 Be.036 O31 H3.41' _cell_length_a 15.7537 _cell_length_b 15.7537 _cell_length_c 7.0707 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1519.701 _exptl_crystal_density_diffrn 3.091 _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 0.40800 0.01580 CaX 0.00000 0.00000 0.25000 0.29000 0.01580 KX 0.00000 0.00000 0.25000 0.00200 0.01580 AlY 0.12149 0.06074 -0.32526 0.77900 0.00970 LiY 0.12149 0.06074 -0.32526 0.12200 0.00970 Fe2Y 0.12149 0.06074 -0.32526 0.02800 0.00970 Mn2Y 0.12149 0.06074 -0.32526 0.00300 0.00970 MgY 0.12149 0.06074 -0.32526 0.00200 0.00970 TiY 0.12149 0.06074 -0.32526 0.00200 0.00970 AlZ 0.29671 0.26049 -0.35784 1.00000 0.00898 SiT 0.19120 0.18935 0.03544 0.83200 0.00789 BT 0.19120 0.18935 0.03544 0.10300 0.00789 AlT 0.19120 0.18935 0.03544 0.06000 0.00789 BeT 0.19120 0.18935 0.03544 0.00600 0.00789 B 0.10908 0.21815 0.48617 1.00000 0.00850 O1 0.00000 0.00000 -0.19250 0.59000 0.01590 O-H1 0.00000 0.00000 -0.19250 0.41000 0.01590 O2 0.05986 0.11972 0.52460 1.00000 0.01500 O3 0.25944 0.12972 -0.45860 1.00000 0.01350 O4 0.09389 0.18777 0.11010 1.00000 0.01410 O5 0.18588 0.09294 0.13090 1.00000 0.01470 O6 0.19343 0.18312 -0.19100 1.00000 0.00990 O7 0.28650 0.28584 0.11020 1.00000 0.01000 O8 0.20935 0.26996 0.47100 1.00000 0.00980 H3 0.25200 0.12600 0.40000 1.00000 0.08000