Aenigmatite Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y American Mineralogist 56 (1971) 427-446 The crystal structure of aenigmatite sample FRO _database_code_amcsd 0000225 10.406 10.813 8.926 104.93 96.87 125.32 P-1 atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Fe1 0 0 .5 .89 .0018 .0029 .0040 .0013 .0013 .0017 Ti1 0 0 .5 .11 .0018 .0029 .0040 .0013 .0013 .0017 Fe2 0 .5 0 .87 .0017 .0024 .0044 .0011 .0017 .0018 Ti2 0 .5 0 .13 .0017 .0024 .0044 .0011 .0017 .0018 Fe3 .3214 .8528 .1779 .95 .0024 .0030 .0047 .0013 .0013 .0017 Ti3 .3214 .8528 .1779 .05 .0024 .0030 .0047 .0013 .0013 .0017 Fe4 .7655 .8199 .1511 .76 .0029 .0032 .0047 .0017 .0018 .0020 Ti4 .7655 .8199 .1511 .24 .0029 .0032 .0047 .0017 .0018 .0020 Fe5 .0961 .9392 .0530 .90 .0035 .0034 .0053 .0019 .0021 .0028 Ti5 .0961 .9392 .0530 .10 .0035 .0034 .0053 .0019 .0021 .0028 Fe6 .5959 .9432 .0661 .0030 .0034 .0044 .0017 .0019 .0022 Ti7 .9970 .7434 .2577 .59 .0022 .0024 .0038 .0012 .0018 .0018 Fe7 .9970 .7434 .2577 .41 .0022 .0024 .0038 .0012 .0018 .0018 Na1 .2089 .6298 .3893 .0022 .0025 .0036 .0022 .0017 .0014 Na2 .6607 .6117 .3741 .0015 .0033 .0060 .0007 .0012 .0024 Si1 .4768 .2345 .3313 .0010 .0011 .0021 .0003 .0008 .0007 Si2 .9864 .2363 .3466 .0008 .0007 .0031 .0004 .0011 .0011 Si3 .7921 .3435 .2416 .90 .0011 .0010 .0023 .0004 .0008 .0010 Fe3 .7921 .3435 .2416 .10 .0011 .0010 .0023 .0004 .0008 .0010 Si4 .2772 .3382 .2252 .95 .0017 .0018 .0031 .0008 .0009 .0012 Fe4 .2772 .3382 .2252 .05 .0017 .0018 .0031 .0008 .0009 .0012 Si5 .6487 .9448 .4447 .94 .0019 .0024 .0024 .0016 .0015 .0015 Fe5 .6487 .9448 .4447 .06 .0019 .0024 .0024 .0016 .0015 .0015 Si6 .3528 .5588 .0501 .95 .0023 .0014 .0032 .0013 .0019 .0015 Fe6 .3528 .5588 .0501 .05 .0023 .0014 .0032 .0013 .0019 .0015 O1 .3542 .0641 .1621 .64 O2 .8611 .0666 .1807 .43 O3 .5540 .9534 .2958 .75 O4 .0151 .9258 .2670 .83 O5 .2353 .8747 .3933 .65 O6 .7541 .8843 .3902 .63 O7 .4929 .1948 .4973 .75 O8 .9575 .7755 .4871 .58 O9 .8996 .3230 .3735 .76 O10 .4034 .3364 .3529 .93 O11 .6653 .1744 .0709 .57 O12 .1570 .1688 .0612 .57 O13 .5233 .7108 .0393 .56 O14 .0673 .7340 .0757 .37 O15 .2417 .6060 .1120 .89 O16 .7510 .6018 .1275 .64 O17 .4002 .5015 .1883 .52 O18 .9363 .5147 .2264 1.09 O19 .1648 .3649 .3183 .62 O20 .6731 .3626 .3366 .99