American Mineralogist Crystal Structure Database

2 matching records for this search.

Fukalite
Download hom/fukalite.pdf
Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V
Download am/vol94/AM94_323.pdf
American Mineralogist 94 (2009) 323-333
Fukalite: An example of an OD structure with two-dimensional disorder
Locality: Gumeshevsk skarn, Central Urals, Russia
_database_code_amcsd 0004836
7.573 23.364 11.544 90 109.15 90 P2_1/c
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .4339  .0436  .1247 .012   .009   .014   .012   .000   .002   .000
Ca1A  .9391  .0437  .1237 .012   .008   .014   .011   .000   .002   .000
Ca4   .3111 -.0452  .3734 .012   .009   .015   .011   .000   .002   .000
Ca4A  .8112 -.0457  .3737 .013   .010   .015   .013   .000   .003   .001
Ca2   .2768 -.3094  .3037 .015   .012   .016   .013   .001   .000  -.001
Ca2A  .7776 -.3091  .3074 .014   .011   .015   .013   .000   .001   .000
Ca3   .5957 -.1932  .4398 .014   .011   .014   .013   .000   .000  -.001
Ca3A  .0963 -.1929  .4435 .014   .013   .016   .012   .000   .001  -.001
Si1   .4743 -.0860  .1237 .014   .014   .015   .013   .000   .002   .000
Si1A  .8998 -.0863  .1257 .014   .014   .014   .013   .001   .002   .000
Si2   .3946 -.2179  .1218 .015   .016   .016   .012   .001   .002   .000
Si2A  .9798 -.2182  .1274 .015   .016   .016   .012   .000   .002   .000
C1    .3117  .0816  .3764 .010
C1A   .8149  .0796  .3761 .011
O1    .1192  .0506 -.0049 .014
O1A   .6267  .0489 -.0037 .013
O2    .4915 -.0480  .2429 .013
O2A   .0014 -.0473  .2436 .013
O3    .3657  .0515  .4774 .016
O3A   .8632  .0496  .4773 .016
O4    .2616  .0538  .2740 .017
O4A   .7608  .0518  .2735 .016
O5    .3164  .1353  .3792 .020
O5A   .8143  .1332  .3786 .021
O6    .5335 -.2421  .2457 .019
O6A  -.0246 -.2432  .2542 .019
O7    .3967 -.2413 -.0067 .019
O7A   .8411 -.2409  .0017 .019
O8    .1865 -.2414  .1246 .019
O8A   .6880 -.1011  .1275 .021
O9    .3808 -.1479  .1236 .020
O9A   .9952 -.1482  .1311 .020
OH1   .3091 -.1443  .3736 .013
OH1A  .8174 -.1437  .3784 .013
OH2   .4434  .1423  .1298 .013
OH2A  .9347  .1434  .1242 .014
H1    .2763 -.1503  .2997 .050
H1A   .7735 -.1509  .2973 .050
H2    .3970  .1509  .0516 .050
H2A   .8984  .1479  .0450 .050
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Fukalite dimorph
 
Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V
 
Doklady Earth Sciences 405A (2005) 1347-1351
Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the
Gumeshevsk Deposit the Urals
Locality: Gumeshevsk Deposit the Urals
_database_code_amcsd 0012514
3.786 10.916 23.379 90 90 90 P2_12_12_1
atom     x     y     z occ Biso
Ca1  .2519 .3742 .4562      .55
Ca2  .2566 .0553 .6907      .74
Ca3  .2493 .3082 .1932      .79
Ca4  .2471 .1241 .9545      .58
Si1  .3275 .3734 .7216 .49  .51
Si2  .1787 .3782 .5875 .52  .12
Si3  .1533 .3756 .7137 .49  .54
Si4  .3384 .3712 .5839 .48  1.3
C     .281 .1231 .0813      .29
O1    .262 .2550 .5515       .6
O2    .252 .5084 .0462       .6
O3    .248 .2284 .0523       .8
O4    .235 .0242 .0506       .9
O5    .211 .1281 .1351       .8
O6    .188 .4993 .2427   1  1.5
O7    .237 .2461 .7413      3.2
O8    .359 .3768 .6483      1.1
O9    .238  .125 .2582 .53   .9
O10   .263  .123 .3980 .46   .9
Oh1   .259 .1256 .8565       .9
Oh2   .242 .3782 .3571   1   .8
Hl    .255  .058  .849      3.0
H2    .243  .314  .342      3.0
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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Total number of retrieved datasets: 2
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