American Mineralogist Crystal Structure Database

1 matching records for this search.

Aubertite
Download hom/aubertite.pdf
Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=2499
Acta Crystallographica B35 (1979) 2499-2502
Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O
Note: anisotropic displacement parameters obtained from ICSD
_database_code_amcsd 0009692
6.282 13.192 6.260 91.85 94.70 82.46 P-1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu      .5    .5     0  1.8  .0095  .0032  .0121 -.0005  .0007  .0014
Al      .5     0    .5  1.0  .0059  .0016  .0056  .0001  .0005  .0005
S    .9838 .1895 .0647  1.1  .0071  .0018  .0066  .0001 -.0003  .0005
O1   .0495 .2922 .0883  2.0  .0120  .0023  .0175 -.0013 -.0016  .0007
O2   .9497 .1527 .2769  2.0  .0090  .0046  .0102  .0002  .0026  .0033
O3   .1586 .1201 .9740  2.1  .0167  .0039  .0078  .0041  .0027  .0007
O4   .7847 .1926 .9245  2.1  .0122  .0027  .0158 -.0008 -.0075  .0007
O5   .5765 .1221 .4043  1.7  .0094  .0017  .0153 -.0004  .0035  .0014
O6   .2371 .0710 .5760  1.5  .0078  .0032  .0072  .0016  .0012  .0006
O7   .6241 .0246 .7783  1.5  .0120  .0020  .0074 -.0002 -.0027  .0003
O8   .5852 .4419 .2818  3.1  .0160  .0069  .0130 -.0053 -.0052  .0054
O9   .7929 .4557 .9183  2.6  .0101  .0043  .0208  .0013  .0065  .0044
O10  .4085 .3358 .8865  2.4  .0118  .0035  .0191 -.0005  .0033  .0018
O11  .3643 .3042 .4479  2.2  .0146  .0025  .0160  .0001  .0004  .0007
Cl       0    .5    .5  2.4  .0109  .0052  .0124 -.0008  .0000 -.0001
H5    .713  .128  .362   2.
H5'   .492  .175  .406   2.
H6    .145  .095  .490   2.
H6'   .204  .090  .715   2.
H7    .675  .079  .799   2.
H7'   .302  .030  .143   2.
H8    .504  .386  .357   2.
H8'   .701  .457  .370   2.
H9    .159  .531  .192   2.
H9'   .911  .407  .996   2.
H10   .299  .316  .965   2.
H10'  .492  .286  .919   2.
H11   .360  .320  .600   2.
H11'  .257  .306  .392   2.
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