American Mineralogist Crystal Structure Database

1 matching records for this search.

Farneseite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A
 
European Journal of Mineralogy 17 (2005) 839-846
Farneseite, a new mineral of the cancrinite - sodalite group
with a 14-layer stacking sequence: occurence and crystal structure
Locality: Latera Caldera, Farnese, Viterbo Province, Italy
_database_code_amcsd 0007136
12.8784 12.8784 37.0078 90 90 120 P6_3/m
atom     x      y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A .5054  .0070 .3927 .467 .014   .011   .022   .015   .011  -.002  -.004
Ca1A .5054  .0070 .3927 .220 .014   .011   .022   .015   .011  -.002  -.004
Na1B .5240  .0470 .3887 .158 .030   .028   .026   .039   .014   .000   .002
Ca1B .5240  .0470 .3887 .074 .030   .028   .026   .039   .014   .000   .002
Na1C .4760 -.0580 .4015 .055 .039   .042   .080   .017   .050  -.010  -.011
Ca1C .4760 -.0580 .4015 .026 .039   .042   .080   .017   .050  -.010  -.011
Na2A   1/3    2/3 .3036 .123 .104   .017   .017   .280   .009      0      0
Ca2A   1/3    2/3 .3036 .070 .104   .017   .017   .280   .009      0      0
Na2B   1/3    2/3 .3479 .230 .050   .038   .038   .074   .019      0      0
Ca2B   1/3    2/3 .3479 .130 .050   .038   .038   .074   .019      0      0
Na3A .6800 -.1605 .4649 .410 .038   .071   .029   .028   .036   .024   .012
Ca3A .6800 -.1605 .4649 .023 .038   .071   .029   .028   .036   .024   .012
Na3B .5970 -.2044 .4543 .213 .043   .072   .036   .031   .035   .022   .018
Ca3B .5970 -.2044 .4543 .012 .043   .072   .036   .031   .035   .022   .018
Na3C .7360 -.1318 .4718 .324 .036   .044   .033   .034   .022   .007   .007
Ca3C .7360 -.1318 .4718 .018 .036   .044   .033   .034   .022   .007   .007
Na4A     0      0 .3832 .105 .029
Na4B     0      0 .4144 .805 .057   .028   .028   .114   .014      0      0
Na5A     0      0   .25 .078 .011
Ca5A     0      0   .25 .076 .011
Na5B     0      0 .2652 .151 .038   .029   .029   .058   .014      0      0
Ca5B     0      0 .2652 .147 .038   .029   .029   .058   .014      0      0
Na6  .5143  .0227   .25  .94 .035   .021   .046   .042   .020      0      0
Ca6  .5143  .0227   .25  .06 .035   .021   .046   .042   .020      0      0
K    .4372  .2190 .3180 .765 .035   .040   .026   .044   .020  -.010  -.004
NaK  .4372  .2190 .3180 .212 .035   .040   .026   .044   .020  -.010  -.004
CaK  .4372  .2190 .3180 .023 .035   .040   .026   .044   .020  -.010  -.004
Ca     2/3    1/3 .4798 .467 .031   .027   .027   .037   .014      0      0
Na     2/3    1/3 .4798 .533 .031   .027   .027   .037   .014      0      0
Al1  .6692  .0828 .4659      .016   .014   .018   .016   .009   .002   .001
Al2  .2524  .0028 .3922      .014   .015   .012   .014   .007  -.001   .000
Al3  .5897 -.0868 .3213      .011   .010   .011   .014   .007   .000   .000
Al4  .2523 -.0051   .25      .010   .009   .007   .013   .003      0      0
Si1  .3371 -.0813 .3213      .011   .009   .012   .013   .006   .000   .001
Si2  .7505 -.0015 .3934      .013   .013   .011   .015   .006  -.001  -.001
Si3  .4151  .0832 .4649      .014   .015   .013   .014   .008   .001   .003
Si4  .2524  .2507   .25      .010   .011   .008   .013   .005      0      0
S1       0      0    .5      .055   .055   .055   .055   .027      0      0
S2     2/3    1/3 .3794      .034   .033   .033   .037   .016      0      0
S3     2/3    1/3 .2500      .034   .031   .031   .041   .015      0      0
S4     1/3    2/3 .4247 .134 .050
O1   .3240 -.0134 .3561      .044   .041   .032   .035   .000   .024  -.014
O2   .6847  .0187 .4268      .049   .055   .041   .041   .015   .022  -.014
O3   .7839  .2269 .4734      .042   .021   .032   .049  -.006   .002  -.001
O4   .2387 -.2218 .3203      .027   .015   .014   .044   .002   .003   .002
O5   .4662 -.0702 .3251      .050   .010   .027   .117   .011  -.003  -.006
O6   .5417  .0902 .4620      .044   .028   .064   .054   .034   .020   .034
O7   .6657 -.0189 .3603      .048   .072   .044   .038   .036  -.036  -.018
O8   .6668  .0002 .5025      .042   .025   .056   .041   .017   .006   .033
O9   .3477  .0316 .4282      .041   .048   .038   .033   .019  -.024  -.007
O10  .3341 -.0132 .2862      .039   .033   .033   .031   .001  -.017   .016
O11  .7841 -.1015   .25      .024   .020   .010   .046   .010      0      0
O12  .2611  .1324   .25      .048   .019   .010   .116   .009      0      0
O13  .2209  .1157 .3873      .062   .086   .032   .088   .045  -.048  -.027
O14  .6708 -.0068 .2842      .048   .079   .037   .043   .040   .049   .026
O15  .7573 -.1190 .4030      .045   .066   .029   .058   .036  -.028  -.015
O30    2/3    1/3 .4196      .063   .073   .073   .042   .037      0      0
O31  .6074  .2101 .3665      .060   .056   .045   .073   .022  -.002  -.019
O32    2/3    1/3 .2835   .5 .050
O33  .5994  .2156 .2661   .5 .050
O34  .4018 -.2033 .4094      .077   .074   .089   .051   .029   .014   .014
O35    1/3    2/3 .4604      .050
O36  .8998 -.0076 .4803      .050
Cl   .3176 -.3024 .4306 .040 .050
S    .3176 -.3024 .4306 .183 .050
F    .3176 -.3024 .4306 .013 .050
Wat1 .3600 -.4070   .25 .266 .050
Wat2     0      0 .3238 .357 .050
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Total number of retrieved datasets: 1
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