data_global _chemical_name_mineral 'Borax' loop_ _publ_author_name 'Levy H A' 'Lisensky G C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 34 _journal_year 1978 _journal_page_first 3502 _journal_page_last 3510 _publ_section_title ; Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD ; _database_code_amcsd 0009647 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 B4 O17 H20' _cell_length_a 11.885 _cell_length_b 10.654 _cell_length_c 12.206 _cell_angle_alpha 90 _cell_angle_beta 106.623 _cell_angle_gamma 90 _cell_volume 1480.966 _exptl_crystal_density_diffrn 1.710 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.00000 0.00000 0.00000 Na2 0.00000 0.84690 0.25000 B1 0.08530 0.34520 0.21510 B2 0.09780 0.45660 0.39180 O1 0.00000 0.26720 0.25000 O2 0.15440 0.41940 0.31460 O3 0.01940 0.43460 0.12430 O4 0.16140 0.27120 0.16790 O5 0.16220 0.51630 0.48950 O6 0.12400 0.84630 0.44930 O7 0.12330 0.00090 0.19560 O8 0.11970 0.16470 0.46150 O9 0.11710 0.70490 0.17180 H4 0.76160 0.25970 0.28070 H5 0.11270 0.45890 0.03790 H6A 0.30030 0.38570 0.03670 H6B 0.86620 0.21090 0.48750 H7A 0.29840 0.47550 0.30640 H7B 0.12760 0.09090 0.20210 H8A 0.91600 0.19580 0.11580 H8B 0.80640 0.12900 0.03640 H9A 0.40040 0.11770 0.33620 H9B 0.61520 0.23590 0.09670 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 Na1 0.02510 0.02980 0.02540 0.00010 0.00530 0.00200 Na2 0.02880 0.03160 0.02890 0.00000 0.01320 0.00000 B1 0.01410 0.01650 0.01420 0.00210 0.00470 -0.00060 B2 0.01350 0.01930 0.01450 -0.00260 0.00440 -0.00380 O1 0.01890 0.01460 0.01520 0.00000 0.00370 0.00000 O2 0.01570 0.02510 0.01840 -0.00360 0.00670 -0.00550 O3 0.01590 0.02560 0.02000 0.00400 0.00750 0.00830 O4 0.02060 0.03280 0.02270 0.00820 0.00600 -0.00780 O5 0.02020 0.04210 0.02270 -0.01040 0.00780 -0.01590 O6 0.02230 0.03390 0.02910 -0.00090 0.00480 0.00280 O7 0.02430 0.02630 0.03320 -0.00180 0.00730 -0.00080 O8 0.02930 0.03600 0.02910 0.00050 0.00550 0.00960 O9 0.03240 0.03210 0.03540 0.00010 0.00500 -0.00680 H4 0.02190 0.04510 0.04160 -0.00580 0.00470 0.00600 H5 0.03540 0.04680 0.02910 0.00570 0.01270 0.01280 H6A 0.03320 0.04970 0.05110 0.00500 0.01060 -0.00440 H6B 0.04260 0.04190 0.05220 0.00160 0.01440 0.01170 H7A 0.03220 0.04270 0.04450 -0.00180 0.00930 -0.00220 H7B 0.04940 0.03380 0.05150 0.00090 0.00600 -0.00660 H8A 0.04880 0.04360 0.03320 -0.00020 0.01090 -0.00610 H8B 0.03350 0.08290 0.00720 -0.01010 0.01210 -0.02100 H9A 0.06110 0.03700 0.07600 0.00350 0.01850 0.01430 H9B 0.05870 0.06030 0.03890 0.00650 0.01220 -0.00490