data_global _amcsd_formula_title 'Na6Si3[Si9O27]' loop_ _publ_author_name 'Fleet M E' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 1105 _journal_page_last 1110 _publ_section_title ; Sodium tetrasilicate: A complex high-pressure framework silicate (Na6Si3[Si9O27]) ; _database_code_amcsd 0001833 _chemical_formula_sum 'Na2 Si4 O9' _cell_length_a 10.875 _cell_length_b 9.326 _cell_length_c 19.224 _cell_angle_alpha 90 _cell_angle_beta 90.18 _cell_angle_gamma 90 _cell_volume 1949.693 _exptl_crystal_density_diffrn 3.090 _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 0.93830 0.05130 0.29550 Na2 0.92740 0.47680 0.27220 Na3 0.43670 0.04470 0.38630 Na4 0.39480 0.02630 0.07730 Na5 0.48330 0.46350 0.38420 Na6 0.33040 0.45820 0.07260 Si1 0.71897 0.00508 0.41306 Si2 0.27224 0.00272 0.24171 Si3 0.78255 0.49927 0.42084 Si4 0.94002 0.22798 0.45674 Si5 0.56746 0.27450 0.10670 Si6 0.44151 0.27507 0.24580 Si7 0.71925 0.26456 0.30325 Si8 0.87596 0.24314 0.16051 Si9 0.15079 0.24210 0.15532 Si10 0.59627 0.26068 0.49017 Si11 0.30679 0.26137 0.48260 Si12 0.16298 0.24081 0.34665 O1 0.90200 0.39300 0.45830 O2 0.50080 0.30870 0.03270 O3 0.89650 0.39670 0.12600 O4 0.45680 0.31280 0.16290 O5 0.28350 0.24170 0.39800 O6 0.78080 0.39190 0.34560 O7 0.45070 0.30970 0.48760 O8 0.19060 0.39640 0.18320 O9 0.35480 0.39300 0.27910 O10 0.01560 0.19150 0.18370 O11 0.80650 0.25350 0.23480 O12 0.67020 0.39000 0.12400 O13 0.04360 0.19410 0.39580 O14 0.72440 0.10740 0.33390 O15 0.83310 0.11440 0.45110 O16 0.13090 0.39340 0.31300 O17 0.66490 0.39380 0.45750 O18 0.57770 0.30930 0.28130 O19 0.21480 0.38760 0.50450 O20 0.17560 0.11060 0.29430 O21 0.24300 0.11080 0.16730 O22 0.40680 0.11160 0.26160 O23 0.14150 0.26780 0.07070 O24 0.83090 0.11320 0.11520 O25 0.59830 0.10880 0.11830 O26 0.28350 0.10170 0.51010 O27 0.60200 0.11540 0.44710 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 0.02039 0.01457 0.02546 0.00304 -0.00051 0.00152 Na2 0.02102 0.01735 0.02496 -0.00950 0.00710 -0.00456 Na3 0.01368 0.01925 0.03166 0.00393 -0.00874 -0.01279 Na4 0.02508 0.01697 0.01140 -0.00646 -0.00342 0.00126 Na5 0.02710 0.01710 0.02331 -0.00101 -0.00468 0.00760 Na6 0.02102 0.01976 0.01659 0.00659 -0.00164 -0.00266 Si1 0.00823 0.00507 0.00683 -0.00013 -0.00240 -0.00025 Si2 0.00760 0.00380 0.00760 0.00051 -0.00013 -0.00025 Si3 0.00697 0.00481 0.00773 0.00013 -0.00051 0.00051 Si4 0.00355 0.00823 0.00279 -0.00063 0.00038 0.00025 Si5 0.00405 0.00811 0.00330 -0.00063 0.00038 0.00000 Si6 0.00481 0.00785 0.00393 0.00038 0.00025 0.00000 Si7 0.00418 0.00747 0.00354 0.00063 0.00127 -0.00025 Si8 0.00481 0.00633 0.00292 -0.00025 0.00102 0.00025 Si9 0.00469 0.00608 0.00457 -0.00013 -0.00051 -0.00013 Si10 0.00456 0.00659 0.00354 0.00000 -0.00064 -0.00013 Si11 0.00392 0.00811 0.00393 0.00025 0.00000 0.00038 Si12 0.00557 0.00836 0.00316 0.00000 -0.00013 -0.00025 O1 0.01393 0.00785 0.00646 0.00164 -0.00253 -0.00013 O2 0.01570 0.01697 0.00303 0.00139 -0.00253 -0.00114 O3 0.01165 0.00545 0.01533 0.00177 -0.00153 0.00279 O4 0.00519 0.01355 0.00811 0.00051 0.00342 0.00126 O5 0.01190 0.02305 0.00418 0.00177 0.00038 -0.00051 O6 0.01456 0.00924 0.01026 -0.00304 0.00240 -0.00241 O7 0.00165 0.01380 0.01191 0.00000 0.00266 -0.00013 O8 0.01533 0.00557 0.00949 -0.00089 -0.00304 -0.00241 O9 0.00697 0.01051 0.00723 0.00278 -0.00038 0.00013 O10 0.00608 0.02077 0.00683 0.00000 -0.00317 0.00380 O11 0.01659 0.02470 0.00532 0.00240 0.00164 0.00013 O12 0.01102 0.01102 0.00811 -0.00367 -0.00164 0.00126 O13 0.00823 0.01380 0.00912 -0.00076 0.00355 -0.00038 O14 0.01684 0.00975 0.00912 0.00101 -0.00114 0.00177 O15 0.00684 0.00912 0.01266 -0.00266 -0.00164 -0.00038 O16 0.00975 0.00405 0.01430 -0.00101 0.00164 0.00203 O17 0.01077 0.00937 0.01608 -0.00089 0.00051 0.00330 O18 0.00887 0.01647 0.01077 -0.00089 0.00051 0.00330 O19 0.01203 0.00950 0.01114 0.00380 -0.00089 -0.00418 O20 0.01127 0.00772 0.01266 0.00063 0.00228 -0.00177 O21 0.00988 0.00975 0.00710 0.00000 0.00140 0.00253 O22 0.01026 0.00545 0.00848 0.00025 -0.00253 -0.00076 O23 0.01494 0.01989 0.00519 0.00228 -0.00064 -0.00139 O24 0.00747 0.01089 0.01773 -0.00152 -0.00025 -0.00545 O25 0.00924 0.00937 0.00784 0.00152 0.00064 -0.00139 O26 0.01153 0.00772 0.01228 -0.00051 -0.00102 0.00190 O27 0.01178 0.00836 0.01114 0.00063 -0.00190 -0.00354