American Mineralogist Crystal Structure Database

2 matching records for this search.

Ahlfeldite
Download hom/ahlfeldite.pdf
Wildner M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 353-362
Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O)
and ahlfeldite (NiSeO3*2H2O)
6.441 8.746 7.522 90 99.00 90 P2_1/n
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Ni   .35246 .63816 .51806 .0192  .0144  .0270  .0164  .0008  .0029   .0000
Se   .60100 .15084 .83718 .0179  .0133  .0260  .0144  .0000  .0021  -.0004
O1    .6704  .3257  .7650 .0223  .0242  .0243  .0171  .0005 -.0011   .0053
O2    .6718  .5917  .5328 .0194  .0133  .0215  .0236  .0018  .0036  -.0007
O3    .4584  .1974  .9992 .0239  .0152  .0353  .0227 -.0034  .0072  -.0048
Ow1   .3831  .5666  .7911 .0256  .0233  .0394  .0151  .0085  .0062  -.0018
Ow2   .4210  .8592  .5775 .0269  .0257  .0309  .0229  .0023  .0004  -.0056
H11    .481   .502   .789 .0235
H12    .400   .648   .897 .0235
H21    .349   .898   .652 .0235
H22    .568   .877   .620 .0235
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Ahlfeldite
Download hom/ahlfeldite.pdf
Larranaga A, Mesa J L, Pizarro J L, Pena A, Chapman J P, Arriortua M I, Rojo T
 
Materials Research Bulletin 40 (2005) 781-793
Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O
(x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O
Locality: synthetic
6.4681 8.7816 7.5668 90 98.927 90 P2_1/n
atom      x     y     z occ Uiso
Ni   -.3503 .1380 .9820  .6 .008
Co   -.3503 .1380 .9820  .4 .008
Se    .1025 .1523 .8371     .008
O1    .1739 .3254 .7652     .012
O2   -.0408 .1994 .9975     .013
O3    .3279 .0924 .9667     .011
O4w   .1158 .4349 .2067     .014
O5w  -.4185 .3592 .9219     .015
H1     .072  .365  .132     .028
H2     .009  .501  .198     .028
H3    -.339  .425  .869     .028
H4    -.554  .368  .879     .028
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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