data_global _amcsd_formula_title 'NaBSiO4' loop_ _publ_author_name 'Graetsch H A' 'Schreyer W' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 759 _journal_page_last 767 _publ_section_title ; Rietveld refinement of synthetic monoclinic NaBSiO4 ; _database_code_amcsd 0006017 _chemical_formula_sum 'Na B Si O4' _cell_length_a 7.9845 _cell_length_b 7.6969 _cell_length_c 13.9432 _cell_angle_alpha 90 _cell_angle_beta 90.081 _cell_angle_gamma 90 _cell_volume 856.891 _exptl_crystal_density_diffrn 2.927 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Na1 0.24500 0.01000 0.25000 Na2 0.73400 0.47000 0.08020 Na3 0.77500 0.03200 0.06620 B1 -0.07740 0.16770 0.23830 B2 0.10170 0.67070 0.08070 B3 0.56550 0.82870 -0.08990 Si1 0.92120 0.78850 0.23760 Si2 0.10740 0.29230 0.07960 Si3 0.43200 0.79270 0.09210 O1 0.06520 0.76600 0.31870 O2 0.05730 0.26500 0.19110 O3 0.23780 0.77300 0.12410 O4 0.74000 0.74700 0.28440 O5 -0.05130 0.24900 0.01080 O6 0.45200 0.74400 -0.02060 O7 0.95790 0.66400 0.14660 O8 0.26330 0.16900 0.05090 O9 0.55000 0.66900 0.15720 O10 0.92400 0.98850 0.20150 O11 0.16300 0.49300 0.06390 O12 0.48990 0.99220 0.10930