data_global _chemical_name_mineral 'Tunellite' loop_ _publ_author_name 'Burns P C' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 895 _journal_page_last 902 _publ_section_title ; Hydrogen bonding in tunellite ; _database_code_amcsd 0005416 _chemical_formula_sum 'Sr B6 H8 O14' _cell_length_a 14.415 _cell_length_b 8.213 _cell_length_c 9.951 _cell_angle_alpha 90 _cell_angle_beta 114.05 _cell_angle_gamma 90 _cell_volume 1075.832 _exptl_crystal_density_diffrn 2.374 _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 Sr 0.16216 0.05603 0.19511 ? B1 0.19250 0.15480 0.84740 ? B2 0.19230 0.15900 0.58540 ? B3 0.04320 0.24890 0.62860 ? B4 0.19090 0.45300 0.21900 ? B5 0.25370 0.39160 0.48320 ? B6 0.25210 0.38810 0.02270 ? H1 0.05700 0.65900 0.33700 0.05700 H2 0.95000 0.07700 0.20400 0.05700 H3 0.02200 0.16500 0.34000 0.05700 H4 0.03800 0.46100 0.13900 0.05700 H5 0.04500 0.73000 0.08400 0.05700 H6 -0.01300 0.83200 0.13200 0.05700 H7 0.11100 0.63000 0.77400 0.05700 H8 0.10500 0.60400 0.61200 0.05700 O1 0.19330 0.02870 0.95130 ? O2 0.20110 0.04130 0.48140 ? O-h3 0.05130 0.68180 0.42740 ? OW4 0.99960 0.17120 0.23550 ? O-h5 0.09430 0.53460 0.17590 ? O6 0.24270 0.80110 0.39950 ? O7 0.20850 0.34050 0.34090 ? O8 0.23810 0.78840 0.07970 ? O9 0.19470 0.35120 0.09930 ? O10 0.08950 0.21260 0.77400 ? O11 0.08660 0.20930 0.53380 ? OW12 0.02210 0.84040 0.06930 ? OW13 0.14100 0.57940 0.71440 ? O14 0.22590 0.07940 0.73570 ? 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 Sr 0.01990 0.01210 0.00840 -0.00080 0.00850 -0.00080 B1 0.00990 0.00940 0.00870 0.00100 0.00460 -0.00070 B2 0.01330 0.00910 0.00730 -0.00130 0.00530 -0.00150 B3 0.01550 0.01440 0.01020 -0.00070 0.00530 -0.00010 B4 0.01700 0.00940 0.00650 -0.00270 0.00720 0.00110 B5 0.01630 0.01090 0.00820 0.00310 0.00780 0.00270 B6 0.00820 0.01100 0.00790 0.00230 0.00170 0.00070 O1 0.01990 0.01290 0.01100 0.00440 0.01000 0.00550 O2 0.02600 0.01030 0.00830 0.00320 0.00810 -0.00010 O-h3 0.02020 0.04920 0.01690 0.01580 0.00820 0.01160 OW4 0.03270 0.04760 0.01680 0.00090 0.00270 -0.00910 O-h5 0.01400 0.01900 0.02790 0.00080 0.00910 -0.00140 O6 0.02250 0.01000 0.01030 0.00190 0.00840 -0.00160 O7 0.02650 0.00980 0.00840 -0.00550 0.00790 -0.00060 O8 0.02050 0.01280 0.01210 0.00170 0.01070 0.00470 O9 0.02130 0.01130 0.01120 -0.00390 0.01010 -0.00570 O10 0.01430 0.01920 0.00860 0.00740 0.00710 0.00340 O11 0.01720 0.02120 0.00680 0.00600 0.00460 0.00240 OW12 0.03280 0.02140 0.02890 0.00110 0.02260 0.00270 OW13 0.02910 0.03850 0.01830 0.01000 0.00690 0.00790 O14 0.01630 0.00770 0.00380 0.00020 0.00610 0.00060