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American Mineralogist Crystal Structure Database

2 matching records for this search.

Fluorcalciopyrochlore
 
Zaitsev A N, Spratt J, Shtukenberg A G, Zolotarev A A, Britvin S N,
Petrov S V, Kuptsova A V, Antonov A V
 
Mineralogical Magazine 85 (2021) 532-553
Oscillatory- and sector-zoned pyrochlore from carbonatites of the Kerimasi
volcano, Gregory rift, Tanzania
Sample: LL 441
Locality: Kisete crater, Kerimasi volcano, Gregory rift, Tanzania
_database_code_amcsd 0021051
10.434 10.434 10.434 90 90 90 *Fd-3m
.125 .125 .125
atom       x    y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ca         0   .5    0 .515 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Na         0   .5    0 .325 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
U          0   .5    0  .08 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Ce         0   .5    0  .06 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
La         0   .5    0  .01 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Nd         0   .5    0  .01 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Pr         0   .5    0 .005 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Mn         0   .5    0 .005 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Sr         0   .5    0 .005 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Y          0   .5    0 .005 .0143  .0143  .0143  .0143 -.0021  -.0021 -.0021
Nb       .75   .5  .25 .865 .0118  .0118  .0118  .0118 .00092 -.00092 .00092
Nb       .75   .5  .25  .06 .0118  .0118  .0118  .0118 .00092 -.00092 .00092
Nb       .75   .5  .25  .04 .0118  .0118  .0118  .0118 .00092 -.00092 .00092
Nb       .75   .5  .25 .035 .0118  .0118  .0118  .0118 .00092 -.00092 .00092
Nb       .75   .5  .25 .005 .0118  .0118  .0118  .0118 .00092 -.00092 .00092
O      .8210 .625 .125      .0159  .0203  .0137  .0137      0       0  .0052
F       .125 .625 .125  .54 .0259  .0259  .0259  .0259      0       0      0
O       .125 .625 .125  .46 .0259  .0259  .0259  .0259      0       0      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)
 
Fluorcalciopyrochlore
 
Zaitsev A N, Spratt J, Shtukenberg A G, Zolotarev A A, Britvin S N,
Petrov S V, Kuptsova A V, Antonov A V
 
Mineralogical Magazine 85 (2021) 532-553
Oscillatory- and sector-zoned pyrochlore from carbonatites of the Kerimasi
volcano, Gregory rift, Tanzania
Sample: KS 23
Locality: Kisete crater, Kerimasi volcano, Gregory rift, Tanzania
_database_code_amcsd 0021052
10.3975 10.3975 10.3975 90 90 90 *Fd-3m
.125 .125 .125
atom       x    y    z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca         0   .5    0  .58  .0149  .0149  .0149  .0149 -.00301 -.00301 -.00301
Na         0   .5    0  .39  .0149  .0149  .0149  .0149 -.00301 -.00301 -.00301
U          0   .5    0 .015  .0149  .0149  .0149  .0149 -.00301 -.00301 -.00301
Sr         0   .5    0  .01  .0149  .0149  .0149  .0149 -.00301 -.00301 -.00301
Nb       .75   .5  .25 .835 .01182 .01182 .01182 .01182  .00067 -.00067  .00067
Ti       .75   .5  .25  .11 .01182 .01182 .01182 .01182  .00067 -.00067  .00067
Si       .75   .5  .25  .03 .01182 .01182 .01182 .01182  .00067 -.00067  .00067
Fe       .75   .5  .25  .02 .01182 .01182 .01182 .01182  .00067 -.00067  .00067
Zr       .75   .5  .25 .005 .01182 .01182 .01182 .01182  .00067 -.00067  .00067
O     .81957 .625 .125  .98  .0130  .0154  .0118  .0118       0       0   .0046
OH    .81957 .625 .125  .02  .0130  .0154  .0118  .0118       0       0   .0046
F       .125 .625 .125  .90  .0146  .0146  .0146  .0146       0       0       0
OH      .125 .625 .125  .10  .0146  .0146  .0146  .0146       0       0       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
View in amc, download in amc

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