Voltaite
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