data_global _chemical_name_mineral 'Olenite' loop_ _publ_author_name 'Schreyer W' 'Hughes J M' 'Bernhardt H J' 'Kalt A' 'Prowatke S' 'Ertl A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 935 _journal_page_last 942 _publ_section_title ; Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 ; _database_code_amcsd 0006949 _chemical_compound_source 'Olenii Range, Kola Peninsula, Russia' _chemical_formula_sum 'Na.541 Ca.023 Al8.217 Li.63 Mn.087 Fe.042 Si5.454 B3.402 O30.838 F.161 Cl.001 H3.832' _cell_length_a 15.792 _cell_length_b 15.792 _cell_length_c 7.0878 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1530.792 _exptl_crystal_density_diffrn 3.049 _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 0.54100 0.02292 CaX 0.00000 0.00000 0.25000 0.02300 0.02292 AlY 0.27260 0.54520 0.32600 0.69100 0.00849 LiY 0.27260 0.54520 0.32600 0.21000 0.00849 MnY 0.27260 0.54520 0.32600 0.02900 0.00849 FeY 0.27260 0.54520 0.32600 0.01400 0.00849 AlZ 0.29652 0.25998 0.63031 1.00000 0.00775 SiT 0.19171 0.18969 0.02370 0.90900 0.00509 BT 0.19171 0.18969 0.02370 0.06700 0.00509 AlT 0.19171 0.18969 0.02370 0.02400 0.00509 B 0.10907 0.21814 0.47520 1.00000 0.00836 O-H1 0.00000 0.00000 0.79400 0.83200 0.01963 F1 0.00000 0.00000 0.79400 0.16100 0.01963 O1 0.00000 0.00000 0.79400 0.00600 0.01963 Cl1 0.00000 0.00000 0.79400 0.00100 0.01963 O2 0.06031 0.12062 0.51410 1.00000 0.01431 O3 0.26050 0.13025 0.52980 1.00000 0.01368 O4 0.09467 0.18934 0.09660 1.00000 0.01203 O5 0.18740 0.09370 0.11860 1.00000 0.01267 O6 0.19402 0.18334 0.79600 1.00000 0.00975 O7 0.28704 0.28646 0.09850 1.00000 0.00899 O8 0.20938 0.27003 0.45920 1.00000 0.00963 H3 0.20500 0.41000 0.08500 1.00000 -0.00304 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 NaX 0.02400 0.02400 0.02100 0.01200 0.00000 0.00000 CaX 0.02400 0.02400 0.02100 0.01200 0.00000 0.00000 AlY 0.00670 0.00860 0.01090 0.00430 0.00130 0.00260 LiY 0.00670 0.00860 0.01090 0.00430 0.00130 0.00260 MnY 0.00670 0.00860 0.01090 0.00430 0.00130 0.00260 FeY 0.00670 0.00860 0.01090 0.00430 0.00130 0.00260 AlZ 0.00730 0.00900 0.00690 0.00407 0.00070 -0.00020 SiT 0.00510 0.00493 0.00500 0.00237 -0.00010 -0.00060 BT 0.00510 0.00493 0.00500 0.00237 -0.00010 -0.00060 AlT 0.00510 0.00493 0.00500 0.00237 -0.00010 -0.00060 B 0.00910 0.01040 0.00610 0.00520 -0.00010 -0.00020 O-H1 0.02320 0.02320 0.01200 0.01160 0.00000 0.00000 F1 0.02320 0.02320 0.01200 0.01160 0.00000 0.00000 O1 0.02320 0.02320 0.01200 0.01160 0.00000 0.00000 Cl1 0.02320 0.02320 0.01200 0.01160 0.00000 0.00000 O2 0.01780 0.00810 0.01380 0.00405 0.00020 0.00040 O3 0.02440 0.01300 0.00750 0.01220 -0.00070 -0.00035 O4 0.01060 0.01700 0.01070 0.00850 -0.00070 -0.00140 O5 0.01830 0.01090 0.01140 0.00915 0.00060 0.00030 O6 0.01000 0.00990 0.00810 0.00410 0.00060 0.00000 O7 0.00890 0.00840 0.00770 0.00290 0.00030 -0.00120 O8 0.00760 0.01110 0.01020 0.00460 0.00030 0.00230