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Fukalite |
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Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V |
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American Mineralogist 94 (2009) 323-333 |
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Fukalite: An example of an OD structure with two-dimensional disorder |
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Locality: Gumeshevsk skarn, Central Urals, Russia |
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_database_code_amcsd 0004836 |
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7.573 23.364 11.544 90 109.15 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .4339 .0436 .1247 .012 .009 .014 .012 .000 .002 .000 |
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Ca1A .9391 .0437 .1237 .012 .008 .014 .011 .000 .002 .000 |
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Ca4 .3111 -.0452 .3734 .012 .009 .015 .011 .000 .002 .000 |
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Ca4A .8112 -.0457 .3737 .013 .010 .015 .013 .000 .003 .001 |
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Ca2 .2768 -.3094 .3037 .015 .012 .016 .013 .001 .000 -.001 |
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Ca2A .7776 -.3091 .3074 .014 .011 .015 .013 .000 .001 .000 |
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Ca3 .5957 -.1932 .4398 .014 .011 .014 .013 .000 .000 -.001 |
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Ca3A .0963 -.1929 .4435 .014 .013 .016 .012 .000 .001 -.001 |
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Si1 .4743 -.0860 .1237 .014 .014 .015 .013 .000 .002 .000 |
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Si1A .8998 -.0863 .1257 .014 .014 .014 .013 .001 .002 .000 |
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Si2 .3946 -.2179 .1218 .015 .016 .016 .012 .001 .002 .000 |
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Si2A .9798 -.2182 .1274 .015 .016 .016 .012 .000 .002 .000 |
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C1 .3117 .0816 .3764 .010 |
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C1A .8149 .0796 .3761 .011 |
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O1 .1192 .0506 -.0049 .014 |
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O1A .6267 .0489 -.0037 .013 |
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O2 .4915 -.0480 .2429 .013 |
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O2A .0014 -.0473 .2436 .013 |
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O3 .3657 .0515 .4774 .016 |
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O3A .8632 .0496 .4773 .016 |
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O4 .2616 .0538 .2740 .017 |
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O4A .7608 .0518 .2735 .016 |
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O5 .3164 .1353 .3792 .020 |
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O5A .8143 .1332 .3786 .021 |
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O6 .5335 -.2421 .2457 .019 |
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O6A -.0246 -.2432 .2542 .019 |
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O7 .3967 -.2413 -.0067 .019 |
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O7A .8411 -.2409 .0017 .019 |
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O8 .1865 -.2414 .1246 .019 |
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O8A .6880 -.1011 .1275 .021 |
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O9 .3808 -.1479 .1236 .020 |
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O9A .9952 -.1482 .1311 .020 |
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OH1 .3091 -.1443 .3736 .013 |
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OH1A .8174 -.1437 .3784 .013 |
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OH2 .4434 .1423 .1298 .013 |
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OH2A .9347 .1434 .1242 .014 |
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H1 .2763 -.1503 .2997 .050 |
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H1A .7735 -.1509 .2973 .050 |
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H2 .3970 .1509 .0516 .050 |
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H2A .8984 .1479 .0450 .050 |
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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 (permalink)
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Fukalite dimorph |
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Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V |
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Doklady Earth Sciences 405A (2005) 1347-1351 |
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Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the |
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Gumeshevsk Deposit the Urals |
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Locality: Gumeshevsk Deposit the Urals |
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_database_code_amcsd 0012514 |
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3.786 10.916 23.379 90 90 90 P2_12_12_1 |
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atom x y z occ Biso |
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Ca1 .2519 .3742 .4562 .55 |
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Ca2 .2566 .0553 .6907 .74 |
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Ca3 .2493 .3082 .1932 .79 |
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Ca4 .2471 .1241 .9545 .58 |
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Si1 .3275 .3734 .7216 .49 .51 |
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Si2 .1787 .3782 .5875 .52 .12 |
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Si3 .1533 .3756 .7137 .49 .54 |
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Si4 .3384 .3712 .5839 .48 1.3 |
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C .281 .1231 .0813 .29 |
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O1 .262 .2550 .5515 .6 |
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O2 .252 .5084 .0462 .6 |
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O3 .248 .2284 .0523 .8 |
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O4 .235 .0242 .0506 .9 |
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O5 .211 .1281 .1351 .8 |
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O6 .188 .4993 .2427 1 1.5 |
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O7 .237 .2461 .7413 3.2 |
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O8 .359 .3768 .6483 1.1 |
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O9 .238 .125 .2582 .53 .9 |
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O10 .263 .123 .3980 .46 .9 |
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Oh1 .259 .1256 .8565 .9 |
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Oh2 .242 .3782 .3571 1 .8 |
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Hl .255 .058 .849 3.0 |
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H2 .243 .314 .342 3.0 |
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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 (permalink)
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