data_global _chemical_name_mineral 'Nasinite' loop_ _publ_author_name 'Corazza E' 'Menchetti S' 'Sabelli C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 31 _journal_year 1975 _journal_page_first 2405 _journal_page_last 2410 _publ_section_title ; The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O ; _database_code_amcsd 0009544 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 B5 O11 H5' _cell_length_a 12.015 _cell_length_b 6.518 _cell_length_c 11.173 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 875.000 _exptl_crystal_density_diffrn 2.134 _symmetry_space_group_name_H-M 'P n a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.47150 0.64840 0.50000 0.03242 Na2 0.24650 0.47340 0.17670 0.02723 B1 0.21650 0.48390 0.50640 0.01039 B2 0.15680 0.14850 0.42170 0.01127 B3 0.01910 0.37920 0.51620 0.01418 B4 0.20340 0.03720 0.21350 0.01013 B5 0.21410 -0.20860 0.37230 0.01153 O1 0.09980 0.51550 0.54920 0.01545 O2 0.29310 0.57940 0.59420 0.01330 O3 0.16630 0.18120 0.29040 0.01545 O4 0.03990 0.20240 0.45530 0.01570 O5 0.23640 0.26640 0.48920 0.01191 O6 0.23540 -0.40800 0.39330 0.01494 O7 0.17230 -0.07150 0.45110 0.01355 O-h8 -0.08670 0.43140 0.55110 0.03217 O9 0.23840 -0.15280 0.25420 0.01988 Ow1 0.57150 0.66390 0.70260 0.03622 Ow2 0.47720 0.79350 0.30450 0.06003 H1 -0.13300 0.36200 0.53300 0.03166 H2 0.56900 0.79100 0.66600 0.10765 H3 0.53200 0.66300 0.75700 0.07599 H4 0.41800 0.78600 0.27100 0.09879 H5 0.52400 0.82800 0.26400 0.11525 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 0.02947 0.03020 0.03763 0.00405 0.01183 0.00708 Na2 0.03006 0.02294 0.02865 0.00222 -0.00286 0.00044 B1 0.01199 0.00835 0.01088 -0.00056 -0.00163 -0.00041 B2 0.01477 0.00902 0.00987 0.00095 0.00007 -0.00026 B3 0.01390 0.01403 0.01461 0.00056 0.00068 -0.00096 B4 0.00812 0.01007 0.01233 -0.00008 -0.00061 0.00059 B5 0.01265 0.01143 0.01069 0.00060 -0.00109 0.00055 O1 0.01273 0.01268 0.02100 -0.00103 0.00197 -0.00671 O2 0.01719 0.01128 0.01132 -0.00361 -0.00258 0.00089 O3 0.02626 0.01029 0.00974 0.00456 -0.00048 0.00041 O4 0.01243 0.01403 0.02068 -0.00095 0.00122 -0.00528 O5 0.01243 0.00820 0.01524 0.00032 -0.00231 -0.00022 O6 0.02487 0.00960 0.01050 0.00266 0.00122 0.00000 O7 0.02128 0.00831 0.01119 0.00159 0.00163 0.00063 O-h8 0.01258 0.03026 0.05357 -0.00226 0.00503 -0.02572 O9 0.03437 0.01296 0.01214 0.00885 0.00660 0.00336 Ow1 0.03408 0.03672 0.03801 0.00353 0.01360 0.01063 Ow2 0.03123 0.10671 0.04225 -0.00309 -0.00374 0.02944