data_global _chemical_name_mineral 'Wilkinsonite' loop_ _publ_author_name 'Burt J B' 'Downs R T' 'Costin G' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 63 _journal_year 2007 _journal_page_first i122 _journal_page_last i124 _publ_section_title ; Single-crystal X-ray refinement of wilkinsonite, Na2Fe2+4Fe3+2Si6O20. ; _database_code_amcsd 0010476 _chemical_compound_source 'Warrumbungle Volcano, central New South Wales, Australia' _chemical_formula_sum 'Na Fe2.75 Si3 O10' _cell_length_a 10.3355 _cell_length_b 10.7847 _cell_length_c 8.9142 _cell_angle_alpha 105.048 _cell_angle_beta 96.461 _cell_angle_gamma 125.302 _cell_volume 738.372 _exptl_crystal_density_diffrn 3.786 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-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 0.21036 0.63125 0.38834 1.00000 0.01308 Na2 0.66109 0.61279 0.37244 1.00000 0.01558 Fe1 0.00000 0.00000 0.50000 0.50000 0.00893 Fe2 0.00000 0.50000 0.00000 0.50000 0.00792 Fe3 0.31905 0.85202 0.17897 1.00000 0.00742 Fe4 0.76728 0.82004 0.15109 1.00000 0.00742 Fe5 0.09363 0.93553 0.05864 1.00000 0.01104 Fe6 0.59487 0.94132 0.06557 1.00000 0.00708 Fe7 0.99381 0.73633 0.26446 1.00000 0.00706 Si1 0.47856 0.23504 0.33068 1.00000 0.00584 Si2 0.98595 0.23337 0.34225 1.00000 0.00495 Si3 0.79150 0.33856 0.24104 1.00000 0.00509 Si4 0.72159 0.66157 0.77590 1.00000 0.00559 Si5 0.64857 0.94629 0.44736 1.00000 0.00608 Si6 0.35235 0.55640 0.04592 1.00000 0.00539 O1 0.35818 0.06889 0.16487 1.00000 0.00790 O2 0.86095 0.06772 0.17513 1.00000 0.00799 O3 0.55580 0.95318 0.29564 1.00000 0.00787 O4 0.01485 0.93349 0.27479 1.00000 0.00762 O5 0.24029 0.87626 0.39573 1.00000 0.00945 O6 0.75486 0.88351 0.39477 1.00000 0.00751 O7 0.50726 0.80265 0.50559 1.00000 0.00809 O8 0.95777 0.78451 0.49264 1.00000 0.00658 O9 0.89916 0.32134 0.37379 1.00000 0.00739 O10 0.59320 0.66083 0.64779 1.00000 0.00691 O11 0.33560 0.82749 0.92558 1.00000 0.00777 O12 0.84312 0.83177 0.93604 1.00000 0.00788 O13 0.52551 0.71191 0.03936 1.00000 0.00860 O14 0.06659 0.72728 0.06868 1.00000 0.00815 O15 0.24054 0.60582 0.11124 1.00000 0.00724 O16 0.74816 0.60204 0.12861 1.00000 0.00747 O17 0.59950 0.50029 0.81427 1.00000 0.00792 O18 0.93448 0.50527 0.21937 1.00000 0.00944 O19 0.83356 0.63351 0.68068 1.00000 0.00757 O20 0.67365 0.36341 0.33607 1.00000 0.00814 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 0.01321 0.01409 0.01308 0.00920 0.00318 0.00594 Na2 0.01086 0.01320 0.01675 0.00442 0.00296 0.00733 Fe1 0.00765 0.00758 0.01054 0.00497 0.00108 0.00270 Fe2 0.00626 0.00853 0.00711 0.00417 0.00190 0.00219 Fe3 0.00687 0.00730 0.00832 0.00475 0.00202 0.00296 Fe4 0.00679 0.00778 0.00715 0.00459 0.00230 0.00234 Fe5 0.00914 0.01221 0.01226 0.00646 0.00323 0.00645 Fe6 0.00779 0.00659 0.00733 0.00437 0.00305 0.00366 Fe7 0.00583 0.00704 0.00751 0.00423 0.00170 0.00166 Si1 0.00534 0.00565 0.00726 0.00345 0.00262 0.00339 Si2 0.00550 0.00606 0.00513 0.00425 0.00258 0.00275 Si3 0.00492 0.00506 0.00563 0.00320 0.00198 0.00240 Si4 0.00542 0.00580 0.00606 0.00384 0.00170 0.00235 Si5 0.00587 0.00739 0.00602 0.00434 0.00228 0.00352 Si6 0.00472 0.00398 0.00566 0.00217 0.00119 0.00130 O1 0.00911 0.00842 0.00716 0.00623 0.00296 0.00253 O2 0.00704 0.00920 0.00911 0.00578 0.00366 0.00338 O3 0.00448 0.00930 0.00941 0.00387 0.00272 0.00433 O4 0.00610 0.00878 0.00816 0.00468 0.00199 0.00385 O5 0.01098 0.00804 0.01162 0.00728 0.00554 0.00284 O6 0.00727 0.00750 0.00906 0.00534 0.00282 0.00323 O7 0.00560 0.00841 0.00810 0.00317 0.00228 0.00380 O8 0.00526 0.00806 0.00804 0.00466 0.00229 0.00415 O9 0.00841 0.00935 0.00840 0.00721 0.00298 0.00450 O10 0.00778 0.00802 0.00535 0.00540 0.00270 0.00196 O11 0.00503 0.00576 0.00752 0.00210 -0.00067 0.00072 O12 0.00332 0.00772 0.00847 0.00214 0.00076 0.00189 O13 0.00782 0.00853 0.00988 0.00496 0.00362 0.00453 O14 0.00958 0.00689 0.00795 0.00491 0.00272 0.00382 O15 0.00785 0.00853 0.00698 0.00686 0.00162 0.00119 O16 0.00584 0.00878 0.00792 0.00526 0.00065 0.00255 O17 0.00773 0.00950 0.01125 0.00725 0.00310 0.00562 O18 0.00638 0.00991 0.00954 0.00388 0.00306 0.00382 O19 0.00620 0.00462 0.00978 0.00233 0.00378 0.00249 O20 0.00798 0.00711 0.00905 0.00485 0.00347 0.00240