data_global _chemical_name_mineral 'Nabesite' loop_ _publ_author_name 'Petersen O V' 'Giester G' 'Brandstatter F' 'Niedermayr G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 173 _journal_page_last 181 _publ_section_title ; Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline complex, South Greenland Sample: T = 293 K ; _database_code_amcsd 0005760 _chemical_compound_source 'Ilimaussaq alkaline complex, South Greenland' _chemical_formula_sum 'Na2 Be Si4 O14 H8' _cell_length_a 9.748 _cell_length_b 10.133 _cell_length_c 11.954 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1180.774 _exptl_crystal_density_diffrn 2.247 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-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 0.02823 0.19660 0.81506 0.02878 Na2 0.37372 0.25369 0.73922 0.04470 Be 0.24232 0.26224 0.25678 0.00840 Si1 0.08393 0.35478 0.06419 0.00750 Si2 0.39961 0.36283 0.44722 0.00765 Si3 0.29128 0.14866 0.03408 0.00839 Si4 0.20023 0.14856 0.47842 0.00781 O1 0.11930 0.34407 0.19374 0.01217 O2 0.12092 0.49694 0.01041 0.01716 O3 -0.07946 0.32732 0.04934 0.01433 O4 0.16731 0.24433 -0.00928 0.01126 O5 0.34741 0.36353 0.32118 0.01214 O6 0.56197 0.32609 0.44915 0.01601 O7 0.31580 0.25353 0.52237 0.01135 O8 0.32791 0.17820 0.16101 0.01294 O9 0.24094 -0.00340 0.01423 0.01378 O10 0.17608 0.15933 0.34733 0.01483 OW1 0.22056 0.07549 0.76168 0.02770 OW2 0.16099 0.37520 0.73814 0.03160 OW3 -0.05881 0.02080 0.94934 0.03790 OW4 0.47439 0.44438 0.80888 0.03940 H1 0.24900 0.00900 0.80700 0.06600 H2 0.20900 0.04900 0.68900 0.06700 H3 0.17100 0.44200 0.75900 0.04500 H4 0.09500 0.38300 0.69900 0.05900 H5 -0.07700 0.02900 0.02250 0.04700 H6 0.03400 0.01100 0.95900 0.10200 H7 0.44600 0.52700 0.78800 0.07400 H8 0.55400 0.40400 0.76500 0.07500 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 0.02240 0.03040 0.03350 -0.00830 -0.00430 0.00520 Na2 0.05540 0.03300 0.04560 0.00290 -0.01110 0.00440 Be 0.01040 0.00780 0.00700 0.00030 -0.00250 -0.00090 Si1 0.00767 0.00662 0.00820 0.00026 -0.00143 0.00092 Si2 0.00782 0.00677 0.00835 -0.00044 -0.00094 -0.00128 Si3 0.00822 0.00770 0.00926 -0.00077 0.00010 0.00122 Si4 0.00819 0.00702 0.00821 0.00068 -0.00033 -0.00160 O1 0.01430 0.01370 0.00850 -0.00070 -0.00330 0.00470 O2 0.02320 0.00850 0.01980 0.00540 0.00020 -0.00080 O3 0.00820 0.01940 0.01530 0.00120 -0.00330 0.00020 O4 0.01300 0.01100 0.00980 -0.00170 -0.00200 0.00560 O5 0.01470 0.01230 0.00940 0.00090 -0.00390 -0.00400 O6 0.00760 0.02190 0.01850 -0.00280 -0.00240 0.00120 O7 0.01330 0.01020 0.01050 0.00110 -0.00130 -0.00540 O8 0.01430 0.01560 0.00890 -0.00300 -0.00280 0.00430 O9 0.01610 0.00640 0.01890 -0.00250 0.00210 0.00000 O10 0.02070 0.01530 0.00850 0.00240 -0.00330 -0.00780 OW1 0.04740 0.01820 0.01760 -0.00260 -0.00780 0.00910 OW2 0.04750 0.02030 0.02700 -0.00360 -0.00550 0.00330 OW3 0.03540 0.03870 0.03960 -0.00470 -0.00760 -0.00340 OW4 0.03990 0.03610 0.04210 0.01760 -0.00030 0.00860