American Mineralogist Crystal Structure Database

1 matching records for this search.

Davinciite
 
Rastsvetaeva R K, Rozenberg K A, Khomyakov A P
 
Doklady Chemistry 424 (2009) 11-14
Crystal structure of high-silica K,Na-ordered acentric eudialyte analogue
Locality: Khibiny alkaline massif, Russia
_database_code_amcsd 0019916
14.2956 14.2956 30.0228 90 90 120 R3m
atom      x     y      z  occ Uiso
Zr    .3328 .1664  .1668  .93 .015
Hf    .3328 .1664  .1668  .01 .015
Ti    .3328 .1664  .1668  .05 .015
Nb    .3328 .1664  .1668  .01 .015
Ca1   .9999 .2600  .9998      .006
Si1   .5273 .2636  .2510      .006
Si2   .9946 .6028  .0976      .006
Si3   .2093 .4186  .0751      .011
Si4   .0856 .5428  .2578      .012
Si5   .0582 .3290  .2364      .010
Si6   .1414 .0707  .0832      .011
O1    .4747 .2373  .2005      .018
O2    .2625 .0284  .2063      .018
O3    .4019 .2971  .1243      .018
O4    .6055 .3945  .2540      .017
O5    .4428 .2214  .2879      .008
O6    .4121 .0287  .0445      .009
O7    .1070 .3913  .1064      .020
O8    .0109 .5055  .1173      .019
O9    .2737 .5475  .0621      .044
O10   .1770 .3540  .0290      .014
O11   .0298 .5149  .3038      .011
O12   .1766 .3532  .2179      .012
O13   .0449 .3005  .2886      .014
O14   .3873 .4361  .2239      .021
O15   .3931 .6069  .2545      .036
O16   .0615 .1231  .0771      .011
O17   .1821 .0910  .1328      .016
O18   .2336 .1168  .0439      .015
FeM2  .4987 .5012  .0003  .75 .011
MnM2  .4987 .5012  .0003  .05 .011
NaM2  .4987 .5012  .0003  .19 .011
Si3a    1/3   2/3  .2473      .012
Si4a    1/3   2/3  .0485      .026
NaA1  .1083 .2165  .1542      .036
NaA2  .5812 .4188  .1650      .033
KA3a  .2404 .4808 -.0464  .53 .013
NaA3b .2328 .1164  .2769 .235 .024
KA3b  .2328 .1164  .2769 .235 .024
NaA4a .4614 .2307  .0499  .89 .018
SrA4a .4614 .2307  .0499  .04 .018
SrA4b .4932 .2466  .0445  .06 .010
BaA4b .4932 .2466  .0445  .01 .010
Na5a  .2548 .5096  .1743  .58 .082
Na5b  .4193 .5807  .1638  .42 .056
Cl1       0     0  .2424  .54 .036
Cl2     2/3   1/3  .1026  .70 .036
Wat11     0     0  .2194  .23 .039
Cl11      0     0  .2194  .23 .039
Cl21    2/3   1/3   .049  .15 .029
Wat21   2/3   1/3   .049  .15 .029
OH1    .410  .590   .004 .002 .045
O1     .410  .590   .004 .003 .045
OH2    .582  .418  -.002 .002 .023
O2     .582  .418  -.002 .003 .023
OH3     1/3   2/3   .140 .256  .02
O3      1/3   2/3   .140 .313  .02
OH4     1/3   2/3  .1967 .225 .013
O4      1/3   2/3  .1967 .275 .013
OH5     1/3   2/3   .995 .184 .057
O5      1/3   2/3   .995 .226 .057
OH6     1/3   2/3   .330 .225 .076
O6      1/3   2/3   .330 .275 .076
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