American Mineralogist Crystal Structure Database

1 matching records for this search.

Voltaite
Download hom/voltaite.pdf
Mereiter K
 
Tschermaks Mineralogische und Petrographische Mitteilungen 18 (1972) 185-202
Die kristallstruktur des voltaits, K2Fe2+5Fe3+3Al[SO4]12*18H2O
_database_code_amcsd 0015642
27.254 27.254 27.254 90 90 90 *Fd3c
.375 .375 .375
atom       x      y       z  occ Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        .25    .25     .25      2.42 .000815 .000815 .000815  .000293  .000293  .000293
Fe1        0      0       0       .77 .000259 .000259 .000259  .000067  .000067  .000067
Fe2+2    .25 .10260 -.10260 .833 1.00 .000343 .000337 .000337 -.000017 -.000017 -.000020
Fe3+2    .25 .10260 -.10260 .167 1.00 .000343 .000337 .000337 -.000017 -.000017 -.000020
Al      .125   .125    .125       .75 .000252 .000252 .000252  .000000  .000000  .000000
S     .23718 .27548  .11810       .85 .000310 .000276 .000273 -.000017  .000007 -.000020
O1    .24978 .24675  .07345      1.29 .000491 .000518 .000296  .000094 -.000081 -.000067
O2    .22387 .32574  .10382      1.86 .000936 .000370 .000569  .000074 -.000061 -.000003
O3    .19490 .25353  .14252      2.43 .000811 .000636 .001000 -.000293  .000320  .000003
O4    .27934 .27529  .15144      1.90 .000599 .000932 .000384  .000172 -.000118 -.000172
Ow5   .18041 .42171  .12172      1.84 .000461 .000781 .000616  .000104  .000050  .000017
Wat6  .08957 .14629  .07076  .25 1.59 .000596 .000589 .000417  .000125 -.000030 -.000145
Wat7  .06896 .08872  .10406  .25 1.84 .000337 .000670 .000848 -.000044 -.000114  .000098
H52     .149   .319    .071      2.85
H53     .104   .305    .079      2.85
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 1
View in amc, download in amc

Return to AMCSD Home Page