data_global _chemical_name_mineral 'Nobleite' loop_ _publ_author_name 'Karanovic L' 'Rosic A' 'Poleti D' _journal_name_full 'European Journal of Mineralogy' _journal_volume 16 _journal_year 2004 _journal_page_first 825 _journal_page_last 833 _publ_section_title ; Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite ; _database_code_amcsd 0007081 _chemical_compound_source 'Kopaonik Mt, central Serbia' _chemical_formula_sum 'Ca B6 O14 H8' _cell_length_a 14.580 _cell_length_b 8.0240 _cell_length_c 9.8486 _cell_angle_alpha 90 _cell_angle_beta 111.801 _cell_angle_gamma 90 _cell_volume 1069.782 _exptl_crystal_density_diffrn 2.092 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.19040 0.05330 0.21720 0.01500 B1 0.18380 0.14960 0.84440 0.01200 B2 0.18450 0.15100 0.58090 0.01200 B3 0.03710 0.23240 0.62830 0.01600 B4 0.29800 -0.05650 0.77190 0.01200 B5 0.24400 -0.11590 0.51210 0.01300 B6 0.24960 -0.11370 0.98250 0.01200 O1 0.19320 0.02910 0.95970 0.01400 O2 0.19930 0.03590 0.47710 0.01500 O3 -0.05460 0.30610 0.57420 0.02700 O4 0.02840 0.18730 0.20820 0.03900 O5 0.39020 0.03390 0.80260 0.02100 O6 0.25340 -0.20050 0.39810 0.01500 O7 0.27990 -0.17370 0.65200 0.01600 O8 0.25300 -0.20510 0.10040 0.01500 O9 0.29950 -0.15740 0.89550 0.01400 O10 0.08060 0.19990 0.77440 0.01700 O11 0.08070 0.19680 0.53170 0.01700 O12 0.06130 -0.14460 0.10610 0.02400 O13 0.36610 0.09170 0.28920 0.03200 O14 0.21460 0.06740 0.72980 0.01100 H1 -0.07800 0.33700 0.63600 0.04600 H2 -0.02600 0.16100 0.13700 0.12000 H3 0.00800 0.18000 0.29000 0.12000 H4 0.43100 -0.03300 0.82100 0.05900 H5 0.09000 -0.25300 0.12900 0.07600 H6 0.01100 -0.14800 0.13000 0.05900 H7 0.40200 0.07200 0.25900 0.13000 H8 0.39000 0.12000 0.37300 0.09000 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 Ca 0.02110 0.01460 0.01200 -0.00190 0.00760 -0.00090 B1 0.01550 0.01040 0.00990 0.00150 0.00610 0.00000 B2 0.01820 0.00930 0.00820 0.00100 0.00580 0.00140 B3 0.01460 0.01680 0.01650 0.00100 0.00510 0.00140 B4 0.01660 0.00960 0.00990 0.00130 0.00610 0.00100 B5 0.01710 0.01040 0.01060 -0.00160 0.00560 -0.00100 B6 0.01610 0.01040 0.01010 -0.00230 0.00580 -0.00170 O1 0.02320 0.01170 0.01200 0.00320 0.01070 0.00270 O2 0.02500 0.01020 0.01010 0.00280 0.00810 0.00060 O3 0.01970 0.04300 0.01870 0.01300 0.00750 0.00590 O4 0.03190 0.04140 0.03750 -0.00280 0.00420 -0.00810 O5 0.01530 0.01840 0.03010 0.00010 0.00890 0.00250 O6 0.02380 0.01130 0.01020 0.00360 0.00810 0.00040 O7 0.02730 0.01150 0.01010 0.00500 0.00800 0.00020 O8 0.02100 0.01250 0.01250 0.00270 0.00870 0.00300 O9 0.02050 0.01330 0.01130 0.00410 0.00890 0.00320 O10 0.01480 0.02350 0.01290 0.00360 0.00590 0.00050 O11 0.01590 0.02320 0.01210 0.00470 0.00470 0.00230 O12 0.02040 0.02350 0.02880 0.00020 0.01180 0.00320 O13 0.02710 0.03620 0.03010 -0.00370 0.00840 -0.00830 O14 0.01640 0.00900 0.00860 0.00160 0.00670 0.00140