data_global _chemical_name_mineral 'Nabesite' loop_ _publ_author_name 'Armstrong J A' 'Friis H' 'Lieb A' 'Finch A A' 'Weller M T' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 519 _journal_page_last 526 _publ_section_title ; Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals ; _database_code_amcsd 0005041 _chemical_compound_source 'Kvanefjeld, Ilimaussaq alkaline complex, South Greenland' _chemical_formula_sum 'Na2 Be Si4 O13.766 H7.532' _cell_length_a 9.7128 _cell_length_b 10.1352 _cell_length_c 11.8919 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1170.652 _exptl_crystal_density_diffrn 2.242 _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_occupancy _atom_site_U_iso_or_equiv Na1 0.02305 0.19135 0.81969 1.00000 0.01240 Na2 0.36397 0.25068 0.74081 1.00000 0.01603 Be1 0.24190 0.26310 0.25732 1.00000 0.00681 Si1 0.07752 0.35377 0.06705 1.00000 0.00566 Si2 0.40206 0.36422 0.44736 1.00000 0.00574 Si3 0.28527 0.14862 0.03361 1.00000 0.00577 Si4 0.20469 0.14805 0.48034 1.00000 0.00574 O1 0.11450 0.34306 0.19655 1.00000 0.00713 O2 0.11804 0.49547 0.01178 1.00000 0.00873 O3 -0.08718 0.33002 0.05361 1.00000 0.00797 O4 0.15832 0.24267 -0.00831 1.00000 0.00693 O5 0.34677 0.36601 0.32177 1.00000 0.00707 O6 0.56498 0.32750 0.44779 1.00000 0.00871 O7 0.31877 0.25543 0.52376 1.00000 0.00667 O8 0.32601 0.18187 0.15891 1.00000 0.00755 O9 0.23591 -0.00391 0.01777 1.00000 0.00805 O10 0.18103 0.15696 0.34853 1.00000 0.00840 Ow1 0.21315 0.07221 0.76340 0.93100 0.00648 Ow2 0.15355 0.37184 0.74025 0.95300 0.00968 Ow3 -0.06814 0.02190 0.95231 0.95100 0.01300 Ow4 0.47553 0.43982 0.80646 0.93100 0.00976 H1 0.25000 0.00300 0.80700 0.93100 0.05500 H2 0.18100 0.03000 0.69830 0.93100 0.07600 H3 0.15800 0.45140 0.78100 0.95300 0.05500 H4 0.09900 0.38400 0.67570 0.95300 0.09200 H5 -0.15770 0.02100 -0.01800 0.95100 0.07900 H6 -0.01500 0.01800 1.01800 0.95100 0.11600 H7 0.44200 0.51720 0.77270 0.93100 0.02500 H8 0.55240 0.42600 0.76010 0.93100 0.05100 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 0.01020 0.01270 0.01440 0.00190 -0.00140 -0.00380 Na2 0.01760 0.01240 0.01800 0.00050 -0.00160 0.00090 Be1 0.00610 0.00740 0.00700 0.00100 -0.00180 0.00050 Si1 0.00550 0.00490 0.00660 0.00038 -0.00050 0.00040 Si2 0.00580 0.00470 0.00670 -0.00062 -0.00018 -0.00040 Si3 0.00560 0.00490 0.00670 0.00025 -0.00010 -0.00018 Si4 0.00570 0.00480 0.00670 -0.00071 -0.00020 0.00014 O1 0.00690 0.00660 0.00790 0.00140 -0.00120 -0.00040 O2 0.01100 0.00590 0.00930 0.00010 -0.00010 0.00080 O3 0.00710 0.00900 0.00790 -0.00010 0.00000 0.00080 O4 0.00800 0.00600 0.00680 0.00030 -0.00050 -0.00020 O5 0.00770 0.00510 0.00840 -0.00090 -0.00100 0.00010 O6 0.00720 0.01040 0.00860 0.00020 -0.00020 -0.00180 O7 0.00780 0.00550 0.00670 0.00010 -0.00010 -0.00030 O8 0.00710 0.00730 0.00820 0.00120 -0.00060 0.00000 O9 0.00820 0.00670 0.00930 -0.00050 0.00110 -0.00050 O10 0.00900 0.00770 0.00850 -0.00180 -0.00140 0.00030 Ow1 0.01100 0.00390 0.00450 0.00350 -0.00270 -0.00080 Ow2 0.01490 0.00650 0.00770 0.00060 -0.00210 -0.00160 Ow3 0.01360 0.01270 0.01270 -0.00320 -0.00240 0.00070 Ow4 0.01090 0.00740 0.01100 0.00250 0.00020 0.00590