American Mineralogist Crystal Structure Database

2 matching records for this search.

Voltaite
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Biagioni C, Mauro D, Pasero M, Bonaccorsi E, Lepore G O, Zaccarini F, Skogby H
 
American Mineralogist 105 (2020) 1088-1098
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex
Locality: Fornovolasco mine, Apuan Alps, Italy
_database_code_amcsd 0020897
27.2635 27.2635 27.2635 90 90 90 *Fd3c
.375 .375 .375
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .25     .25     .25 .936 .0358  .0358  .0358  .0358  .0106  .0106  .0106
Tl       .25     .25     .25 .064 .0358  .0358  .0358  .0358  .0106  .0106  .0106
Fe1        0       0       0 .982 .0152  .0152  .0152  .0152  .0026  .0026  .0026
Mg1        0       0       0 .018 .0152  .0152  .0152  .0152  .0026  .0026  .0026
Fe2      .25  .10274 -.10274 .746 .0170  .0191  .0160  .0160 -.0005 -.0005 -.0003
Mg2      .25  .10274 -.10274 .254 .0170  .0191  .0160  .0160 -.0005 -.0005 -.0003
Al      .125    .125    .125      .0129  .0129  .0129  .0129   .000   .000   .000
S     .23742  .27552  .11854      .0148  .0158  .0142  .0145  .0000  .0001 -.0002
O1    .24984  .24646  .07377      .0230  .0271  .0237  .0181  .0047 -.0051 -.0038
O2    .22466  .32600  .10409      .0298   .044  .0168  .0289  .0038 -.0038  .0014
O3    .19484  .25393  .14332      .0391   .034   .036   .048 -.0129  .0153 -.0010
O4    .28004  .27514  .15208      .0303   .028   .044  .0193  .0061 -.0031 -.0077
OW5   .18263  .41982  .12142      .0163  .0121  .0281  .0085 -.0048  .0005  .0028
OW6    .0896   .1464   .0703  .25  .030   .026   .036   .028  -.007  -.006   .000
OW7    .0692   .0889   .1041  .25  .030   .026   .036   .028  -.007  -.006   .000
H52     .172    .424   .1530        .08
H53     .167    .433    .094        .08
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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
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Total number of retrieved datasets: 2
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