data_global _chemical_name_mineral 'Jadarite' loop_ _publ_author_name 'Whitfield P S' 'Le Page Y' 'Grice J D' 'Stanley C J' 'Jones G C' 'Rumsey M S' 'Blake C' 'Roberts A C' 'Stirling J A R' 'Carpenter G J C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 63 _journal_year 2007 _journal_page_first 396 _journal_page_last 401 _publ_section_title ; LiNaSiB3O7(OH) - novel structure of the new borosilicate mineral jadarite determined from laboratory powder diffraction data ; _database_code_amcsd 0009954 _chemical_compound_source 'Jadar basin, Serbia' _chemical_formula_sum 'Li Na Si B3 O8 H' _cell_length_a 6.7620 _cell_length_b 13.8016 _cell_length_c 7.6878 _cell_angle_alpha 90 _cell_angle_beta 124.089 _cell_angle_gamma 90 _cell_volume 594.190 _exptl_crystal_density_diffrn 2.453 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Li 0.46200 0.19950 0.13830 0.04600 Na 0.97330 0.99060 0.75440 0.07640 Si 0.03780 0.75390 0.20480 0.05840 B1 0.20960 0.16020 0.66230 0.09100 B2 0.69200 0.34930 0.41600 0.05400 B3 0.52900 0.50220 0.78600 0.09470 O1 0.81570 0.72410 0.98950 0.06510 O2 0.26730 0.78180 0.21020 0.06630 O3 0.97330 0.84830 0.28730 0.05810 O4 0.11500 0.65840 0.34910 0.05420 O5 0.74570 0.55060 0.87610 0.07080 O6 0.68460 0.45600 0.35200 0.05700 O7 0.54890 0.67250 0.61980 0.06340 O8 0.52990 0.40510 0.83620 0.07330 H 0.69900 0.39930 0.93600 0.09530 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 Na 0.09100 0.06570 0.08100 0.01000 0.03800 -0.00460 B3 0.04600 0.15800 0.09800 0.01600 0.04300 0.07800