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Aenigmatite |
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Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y |
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American Mineralogist 56 (1971) 427-446 |
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The crystal structure of aenigmatite |
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sample CM |
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10.406 10.813 8.926 104.93 96.87 125.32 P-1 |
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atom x y z Biso |
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Fe1 0 0 .5 .89 |
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Fe2 0 .5 0 .85 |
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Fe3 .3193 .8513 .1779 .91 |
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Fe4 .7670 .8203 .1517 .68 |
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Fe5 .0952 .9382 .0522 .98 |
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Fe6 .5962 .9435 .0662 .82 |
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Ti1 .9970 .7428 .2565 .62 |
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Na1 .2092 .6289 .3893 1.33 |
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Na2 .6627 .6127 .3733 1.42 |
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Si1 .4798 .2333 .3311 .82 |
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Si2 .9879 .2363 .3456 .68 |
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Si3 .7925 .3435 .2424 .84 |
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Si4 .2782 .3364 .2257 .86 |
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Si5 .6478 .9448 .4450 .76 |
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Si6 .3525 .5573 .0501 .78 |
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O1 .3600 .0684 .1630 1.02 |
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O2 .8640 .0688 .1800 1.41 |
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O3 .5488 .9535 .2957 1.20 |
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O4 .0087 .9233 .2648 1.19 |
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O5 .2364 .8751 .3951 1.19 |
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O6 .7523 .8821 .3912 1.10 |
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O7 .4967 .1947 .4965 1.00 |
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O8 .9603 .7756 .4843 .98 |
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O9 .9069 .3300 .3717 1.44 |
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O10 .4091 .3408 .3539 .75 |
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O11 .6710 .1773 .0749 1.44 |
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O12 .1565 .1694 .0646 1.02 |
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O13 .5197 .7094 .0365 1.04 |
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O14 .0671 .7334 .0776 .78 |
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O15 .2453 .6098 .1152 1.51 |
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O16 .7572 .6022 .1230 1.39 |
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O17 .4040 .4995 .1882 1.01 |
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O18 .9370 .5164 .2269 1.15 |
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O19 .1708 .3661 .3271 .91 |
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O20 .6749 .3640 .3422 .93 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Aenigmatite |
|
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y |
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American Mineralogist 56 (1971) 427-446 |
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The crystal structure of aenigmatite |
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sample FRO |
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10.406 10.813 8.926 104.93 96.87 125.32 P-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 .5 .89 .0018 .0029 .0040 .0013 .0013 .0017 |
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Ti1 0 0 .5 .11 .0018 .0029 .0040 .0013 .0013 .0017 |
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Fe2 0 .5 0 .87 .0017 .0024 .0044 .0011 .0017 .0018 |
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Ti2 0 .5 0 .13 .0017 .0024 .0044 .0011 .0017 .0018 |
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Fe3 .3214 .8528 .1779 .95 .0024 .0030 .0047 .0013 .0013 .0017 |
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Ti3 .3214 .8528 .1779 .05 .0024 .0030 .0047 .0013 .0013 .0017 |
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Fe4 .7655 .8199 .1511 .76 .0029 .0032 .0047 .0017 .0018 .0020 |
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Ti4 .7655 .8199 .1511 .24 .0029 .0032 .0047 .0017 .0018 .0020 |
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Fe5 .0961 .9392 .0530 .90 .0035 .0034 .0053 .0019 .0021 .0028 |
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Ti5 .0961 .9392 .0530 .10 .0035 .0034 .0053 .0019 .0021 .0028 |
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Fe6 .5959 .9432 .0661 .0030 .0034 .0044 .0017 .0019 .0022 |
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Ti7 .9970 .7434 .2577 .59 .0022 .0024 .0038 .0012 .0018 .0018 |
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Fe7 .9970 .7434 .2577 .41 .0022 .0024 .0038 .0012 .0018 .0018 |
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Na1 .2089 .6298 .3893 .0022 .0025 .0036 .0022 .0017 .0014 |
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Na2 .6607 .6117 .3741 .0015 .0033 .0060 .0007 .0012 .0024 |
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Si1 .4768 .2345 .3313 .0010 .0011 .0021 .0003 .0008 .0007 |
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Si2 .9864 .2363 .3466 .0008 .0007 .0031 .0004 .0011 .0011 |
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Si3 .7921 .3435 .2416 .90 .0011 .0010 .0023 .0004 .0008 .0010 |
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Fe3 .7921 .3435 .2416 .10 .0011 .0010 .0023 .0004 .0008 .0010 |
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Si4 .2772 .3382 .2252 .95 .0017 .0018 .0031 .0008 .0009 .0012 |
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Fe4 .2772 .3382 .2252 .05 .0017 .0018 .0031 .0008 .0009 .0012 |
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Si5 .6487 .9448 .4447 .94 .0019 .0024 .0024 .0016 .0015 .0015 |
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Fe5 .6487 .9448 .4447 .06 .0019 .0024 .0024 .0016 .0015 .0015 |
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Si6 .3528 .5588 .0501 .95 .0023 .0014 .0032 .0013 .0019 .0015 |
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Fe6 .3528 .5588 .0501 .05 .0023 .0014 .0032 .0013 .0019 .0015 |
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O1 .3542 .0641 .1621 .64 |
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O2 .8611 .0666 .1807 .43 |
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O3 .5540 .9534 .2958 .75 |
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O4 .0151 .9258 .2670 .83 |
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O5 .2353 .8747 .3933 .65 |
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O6 .7541 .8843 .3902 .63 |
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O7 .4929 .1948 .4973 .75 |
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O8 .9575 .7755 .4871 .58 |
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O9 .8996 .3230 .3735 .76 |
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O10 .4034 .3364 .3529 .93 |
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O11 .6653 .1744 .0709 .57 |
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O12 .1570 .1688 .0612 .57 |
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O13 .5233 .7108 .0393 .56 |
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O14 .0673 .7340 .0757 .37 |
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O15 .2417 .6060 .1120 .89 |
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O16 .7510 .6018 .1275 .64 |
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O17 .4002 .5015 .1883 .52 |
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O18 .9363 .5147 .2264 1.09 |
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O19 .1648 .3649 .3183 .62 |
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O20 .6731 .3626 .3366 .99 |
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|
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View JMOL 3-D Structure
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Aenigmatite |
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Gasparik T, Parise J B, Reeder R J, Young V G, Wilford W S |
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American Mineralogist 84 (1999) 257-266 |
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Composition, stability, and structure of a new member of the aenigmatite group, |
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Na2Mg4+xFe2-2xSi6+xO20, synthesized at 13-14 GPa |
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10.328 10.724 8.805 105.15 96.85 125.47 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 0 .5 .689 .012 .009 .015 .008 -.003 -.001 |
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Si1 0 0 .5 .060 .012 .009 .015 .008 -.003 -.001 |
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Fe1 0 0 .5 .251 .012 .009 .015 .008 -.003 -.001 |
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Mg2 0 .5 0 .646 .010 .013 .014 .005 .004 .000 |
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Si2 0 .5 0 .056 .010 .013 .014 .005 .004 .000 |
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Fe2 0 .5 0 .298 .010 .013 .014 .005 .004 .000 |
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Mg3 .3139 .8489 .1780 .699 .012 .011 .010 .008 .005 .005 |
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Si3 .3139 .8489 .1780 .061 .012 .011 .010 .008 .005 .005 |
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Fe3 .3139 .8489 .1780 .240 .012 .011 .010 .008 .005 .005 |
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Mg4 .7687 .8191 .1508 .724 .008 .008 .007 .005 .002 .002 |
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Si4 .7687 .8191 .1508 .063 .008 .008 .007 .005 .002 .002 |
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Fe4 .7687 .8191 .1508 .213 .008 .008 .007 .005 .002 .002 |
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Mg5 .0949 .9394 .0559 .765 .009 .015 .013 .007 .006 .007 |
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Si5 .0949 .9394 .0559 .066 .009 .015 .013 .007 .006 .007 |
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Fe5 .0949 .9394 .0559 .169 .009 .015 .013 .007 .006 .007 |
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Mg6 .5959 .9422 .0646 .728 .009 .011 .007 .006 .005 .005 |
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Si6 .5959 .9422 .0646 .063 .009 .011 .007 .006 .005 .005 |
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Fe6 .5959 .9422 .0646 .209 .009 .011 .007 .006 .005 .005 |
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Mg7 .9920 .7350 .2649 .742 .007 .007 .008 .005 .000 .000 |
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Si7 .9920 .7350 .2649 .064 .007 .007 .008 .005 .000 .000 |
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Fe7 .9920 .7350 .2649 .194 .007 .007 .008 .005 .000 .000 |
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Si1 .4767 .2328 .3320 .008 .010 .004 .006 .003 .004 |
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Si2 .9836 .2339 .3451 .009 .011 .008 .007 .004 .006 |
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Si3 .7910 .3428 .2402 .007 .011 .003 .006 .003 .003 |
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Si4 .2793 .3399 .2254 .007 .008 .004 .005 .003 .003 |
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Si5 .6497 .9493 .4436 .008 .006 .008 .004 .003 .004 |
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Si6 .3549 .5602 .0458 .008 .005 .007 .004 .002 .002 |
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Na1 .2093 .6344 .3911 .013 .011 .014 .006 .001 .005 |
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Na2 .6621 .6118 .3698 .011 .014 .020 .008 .006 .010 |
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O1 .3555 .0650 .1628 .007 .009 .010 .005 .006 .007 |
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O2 .8600 .0659 .1743 .007 .011 .016 .007 .004 .007 |
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O3 .5595 .9605 .2915 .006 .012 .008 .005 .000 .004 |
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O4 .0255 .9357 .2693 .024 .030 .010 .020 .000 .003 |
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O5 .2314 .8718 .3902 .010 .004 .006 .006 .002 .001 |
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O6 .7486 .8827 .3901 .010 .005 .011 .005 .003 .004 |
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O7 .4926 .1955 .4984 .007 .013 .009 .006 .005 .005 |
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O8 .9556 .7774 .4830 .011 .014 .017 .005 -.002 .009 |
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O9 .8970 .3218 .3701 .013 .014 .012 .010 .004 .001 |
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O10 .4029 .3363 .3533 .009 .009 .007 .006 .005 .003 |
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O11 .6588 .1729 .0694 .011 .005 .005 .004 .001 -.002 |
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O12 .1538 .1675 .0617 .011 .005 .006 .003 .000 -.002 |
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O13 .5289 .7104 .0353 .013 .006 .007 .006 .004 .001 |
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O14 .0605 .7288 .0654 .006 .011 .025 .007 .001 .004 |
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O15 .2426 .6133 .1125 .008 .010 .007 .007 -.001 .000 |
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O16 .7512 .6099 .1283 .013 .007 .014 .003 .004 -.002 |
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O17 .4034 .5015 .1889 .008 .005 .009 .003 .004 .002 |
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O18 .9347 .5112 .2243 .007 .018 .011 .007 .003 .010 |
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O19 .1664 .3696 .3195 .007 .004 .013 .002 .005 .003 |
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O20 .6738 .3666 .3372 .005 .007 .005 .002 .003 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Aenigmatite |
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Yang H, Konzett J |
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American Mineralogist 85 (2000) 259-262 |
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High-pressure synthesis of Na2Mg6Si6O18(OH)2 - a new hydrous silicate phase |
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isostructural with aenigmatite |
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10.2925 10.7052 8.8027 105.280 96.712 125.256 P-1 |
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atom x y z occ Uiso |
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MgM1 0 0 .5 .0130 |
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MgM2 0 .5 0 .0174 |
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MgM3 .3139 .8498 .1782 .0095 |
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MgM4 .7687 .8195 .1512 .0086 |
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MgM5 .5949 .9407 .0617 .0085 |
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MgM6 .0966 .9420 .0534 .0135 |
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MgM7 .9900 .7309 .2680 .92 .0078 |
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AlM7 .9900 .7309 .2680 .08 .0078 |
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NaM8 .2088 .6334 .3899 .0151 |
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NaM9 .6620 .6099 .3672 .0155 |
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SiT1 .4765 .2333 .3335 .0084 |
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SiT2 .9804 .2299 .3428 .0086 |
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SiT3 .7880 .3385 .2375 .0060 |
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SiT4 .2780 .3398 .2243 .0060 |
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SiT5 .6478 .9495 .4428 .0078 |
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SiT6 .3563 .5596 .0455 .0079 |
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H1 .1290 .0486 .3422 |
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H2 .0241 .3381 .0489 |
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O1 .3516 .0676 .1688 .0108 |
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O2 .8517 .0627 .1745 .0109 |
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O3 .5577 .9605 .2931 .0104 |
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Oh4 .0267 .9456 .2735 .0195 |
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O5 .2398 .8748 .3858 .0137 |
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O6 .7537 .8856 .3865 .0132 |
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O7 .5047 .8015 .4992 .0091 |
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O8 .9565 .7835 .4900 .0105 |
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O9 .8914 .3152 .3728 .0110 |
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O10 .3992 .3323 .3563 .0075 |
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O11 .6578 .1653 .0655 .0073 |
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O12 .1560 .1641 .0585 .0068 |
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Oh13 .5318 .7163 .0378 .0098 |
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O14 .0617 .7323 .0603 .0097 |
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O15 .2426 .6091 .1100 .0066 |
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O16 .7484 .6084 .1260 .0082 |
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O17 .4032 .5036 .1907 .0104 |
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O18 .9335 .5048 .2196 .0115 |
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O19 .1594 .3645 .3150 .0123 |
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O20 .6705 .3637 .3367 .0066 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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