American Mineralogist Crystal Structure Database

3 matching records for this search.

Tinticite
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Rius J, Louer D, Louer M, Gali S, Melgarejo J C
 
European Journal of Mineralogy 12 (2000) 581-588
Structure solution from powder data of the phosphate hydrate tinticite
_database_code_amcsd 0006835
7.965 9.999 7.644 103.94 115.91 67.86 P-1
atom        x     y      z occ Biso
Fe1     .2920 .0136  .0108      1.2
Fe2     .3578 .4898  .7338 .86  1.2
Fe3         0     0    1/2  .7  1.2
Fe4     .0339 .5133  .2192 .46  1.2
P1     -.0181 .2071  .2146 .81  1.2
V1     -.0181 .2071  .2146 .19  1.2
O1      .1887 .1477  .2025      1.2
O2     -.1182 .3762  .2062      1.2
O3      .0267 .1698  .4310      1.2
Wat4   -.1504 .1198  .0539      1.2
P2a     .4001 .3130  .0620  .5  1.2
O5a     .4144 .3739 -.0950      1.2
O6a     .1825 .3835  .0480      1.2
O7a     .5342 .3724  .2748      1.2
Wat8a   .4860 .1471  .0744      1.2
P2b     .7664 .2645  .6314  .5  1.2
Wat9b   .9899 .1666  .7645  .7  1.2
O10b    .8056 .3790  .5548      1.2
Wat11b  .6223 .3310  .7247  .7  1.2
O12b    .6948 .1347  .4712      1.2
OH13    .5146 .0499  .6855      1.2
OH14    .1729 .4400  .5790      1.2
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Aerinite
Download hom/aerinite.pdf
Rius J, Crespi A, Roig A, Melgarejo J C
 
European Journal of Mineralogy 21 (2009) 233-240
Crystal structure refinement of Fe3+-rich aerinite
from synchrotron powder diffraction and Mossbauer data
Locality: Tartareu, Catalunya, Spain
_database_code_amcsd 0007273
16.91611 16.91611 5.22886 90 90 120 P3c1
atom      x     y     z   occ Biso
CaM3  .3325 .3383 .4937 .7301  1.4
FeM1a     0     0 .0354        1.5
FeM1b   1/3   2/3 .8455 .8028  1.5
AlM2  .2134 .3336 .9708        1.8
SiTa  .2045 .1479 .7974        1.5
SiTb  .3919 .5207 .1191        1.5
O1a   .0912 .0890 .7854        4.5
O2a   .2434 .2522 .8297        1.5
O3a   .2371 .1300 .5176        1.5
O1b   .3357 .5772 .0955        1.6
O2b   .3346 .4131 .1009        1.5
O3b   .4432 .5385 .3890        1.5
O4a   .1714 .2688 .2980        1.9
O4b   .2385 .3973 .6627        1.9
O5    .4959 .3863 .7212  1.25 10.1
O6    .4013 .2979 .2055 1.063  9.6
O7    .5776 .2879 .1651   .50  6.1
CA      2/3   1/3 .1278   .72  1.5
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View JMOL 3-D Structure
 
Garutiite
 
McDonald A M, Proenza J A, Zaccarini F, Rudashevsky N S, Cabri L J,
Stanley C J, Rudashevsky V N, Melgarejo J C, Lewis J F, Longo F, Bakker R J
 
European Journal of Mineralogy 22 (2010) 293-304
Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from
Loma Peguera, Dominican Republic
Locality: Loma Peguera, Dominican Republic
_database_code_amcsd 0007336
2.6939 2.6939 4.2732 90 90 120 P6_3/mmc
atom   x   y   z  occ
Ni   1/3 2/3 .25 .421
Fe   1/3 2/3 .25 .316
Ir   1/3 2/3 .25 .202
Pt   1/3 2/3 .25 .032
Co   1/3 2/3 .25 .008
Cu   1/3 2/3 .25 .006
Rh   1/3 2/3 .25 .006
Ru   1/3 2/3 .25 .004
Os   1/3 2/3 .25 .003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 3
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