Fluor-schorl Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J, Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F, Francis C A, Prem M, Tillmanns E American Mineralogist 97 (2012) 1402-1416 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1 Locality: Blocherleitengraben, Lower Austria _database_code_amcsd 0019249 16.0393 16.0393 7.2536 90 90 120 R3m atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) NaX 0 0 .75 .94 .0232 .0223 .0223 .0252 .0111 0 0 CaX 0 0 .75 .06 .0232 .0223 .0223 .0252 .0111 0 0 AlY .87678 .938390 .3393 .171 .01064 .01091 .00810 .01386 .00546 -.00379 -.00189 FeY .87678 .938390 .3393 .829 .01064 .01091 .00810 .01386 .00546 -.00379 -.00189 AlZ .70130 .73828 .3619 .797 .00771 .00729 .00751 .00779 .00330 04 .00052 FeZ .70130 .73828 .3619 .203 .00771 .00729 .00751 .00779 .00330 04 .00052 SiT .80868 .81039 .9732 .00755 .00706 .00672 .00890 .00349 -.00056 -.00061 B .88976 .77952 .5194 .0102 .0102 .0096 .0107 .0048 .0007 .0014 O1 0 0 .1895 .47 .0219 .0258 .0258 .0141 .0129 0 0 OH1 0 0 .1895 .23 .0219 .0258 .0258 .0141 .0129 0 0 F1 0 0 .1895 .30 .0219 .0258 .0258 .0141 .0129 0 0 O2 .93852 .87704 .4919 .0144 .0164 .0092 .0151 .0046 .0003 .0007 O3 .73317 .86659 .4614 .0171 .0255 .0185 .0098 .0127 .0031 .0015 O4 .90743 .81485 .9047 .0130 .0107 .0186 .0122 .0093 -.0007 -.0014 O5 .81543 .90772 .8840 .0130 .0187 .0105 .0126 .0094 .0015 .0008 O6 .80337 .81272 .1945 .01157 .0130 .0128 .0092 .0066 -.0006 -.0009 O7 .71602 .71574 .8939 .01232 .0114 .0094 .0136 .0032 -.0035 -.0012 O8 .79074 .72986 .5317 .0150 .0088 .0140 .0224 .0058 .0011 .0024 H3 .730 .865 .583 .081