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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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_database_code_amcsd 0000224 |
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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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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 FRO |
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_database_code_amcsd 0000225 |
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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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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Kainite |
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Robinson P D, Fang J H, Ohya Y |
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American Mineralogist 57 (1972) 1325-1332 |
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The crystal structure of kainite |
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Locality: Stassfurt, Germany |
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_database_code_amcsd 0000291 |
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19.72 16.23 9.53 90 94.92 90 C2/m |
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atom x y z Biso |
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K1 .19158 .5 .4203 1.80 |
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K2 .19318 0 .9398 1.56 |
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K3 .19487 .3064 .8483 2.00 |
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S1 .09695 .3308 .5175 .69 |
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S2 .09805 .1672 .0136 .75 |
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Mg1 0 .5 .5 .87 |
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Mg2 0 0 0 1.00 |
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Mg3 .25000 .25 .5 1.14 |
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Mg4 .00026 .2484 .2481 1.00 |
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Cl1 .21470 0 .2730 2.45 |
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Cl2 .13985 0 .6231 2.27 |
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Cl3 .17890 .3892 .1357 2.35 |
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O1 .0710 .2317 .9152 1.30 |
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O2 .0707 .2694 .4142 1.37 |
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O3 .0749 .3107 .6569 1.29 |
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O4 .0734 .4133 .4744 1.52 |
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O5 .0715 .0859 .9646 1.56 |
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O6 .0760 .1844 .1552 1.14 |
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O7 .1721 .3316 .5261 1.25 |
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O8 .1722 .1668 .0183 1.34 |
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Wat1 .0399 0 .2197 1.65 |
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Wat2 .0193 .5 .7192 1.42 |
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Wat3 .2133 .1727 .6510 2.19 |
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Wat4 .0259 .3588 .1468 1.48 |
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Wat5 .0200 .1354 .6489 1.74 |
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Wat6 .1963 .1849 .3438 1.80 |
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Wat7 .1454 .5 .8430 4.49 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Eudidymite |
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Fang J H, Robinson P D, Ohya Y |
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American Mineralogist 57 (1972) 1345-1354 |
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Redetermination of the crystal structure of eudidymite and its dimorphic |
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relationship to epididymite |
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_database_code_amcsd 0000293 |
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12.63 7.38 14.02 90 103.72 90 C2/c |
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atom x y z Biso |
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Na .0287 .3405 .9282 2.57 |
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Be .1677 .3228 .4969 1.08 |
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Si1 .2038 .0199 .6416 .76 |
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Si2 .2518 .1027 .8665 .78 |
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Si3 .0297 .0933 .3618 .82 |
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O1 .0732 .0329 .6266 1.07 |
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O2 .2401 .1800 .1152 1.49 |
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O3 .2410 .1650 .5715 1.19 |
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O4 .2368 .4392 .2447 1.65 |
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O5 .1549 .4984 .0558 1.16 |
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O6 .1292 .0519 .8755 1.12 |
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O7 0 .1732 .25 1.51 |
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O8 .0526 .2561 .4373 1.31 |
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Wat 0 .4322 .75 3.03 |
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|
| 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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