American Mineralogist Crystal Structure Database

3 matching records for this search.

Rhomboclase
Download hom/rhomboclase.pdf
Peterson R C, Valyashko E, Wang R
Download cm/vol47/CM47_625.pdf
The Canadian Mineralogist 47 (2009) 625-634
The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
Note: T = 180 K
Locality: Alcoparrosa, Chile
_database_code_amcsd 0006292
9.6870 18.2040 5.4250 90 90 90 Pnma
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe       0     0     0     .010   .009   .015   .008   .001   .000  -.001
S    .2353 .0886 .2923     .011   .009   .015   .008   .000   .000   .000
O1   .3227 .0232 .3417     .014   .011   .017   .014   .001   .003  -.001
O2   .0930 .0608 .2482     .015   .010   .024   .012  -.005   .002  -.001
O3   .2870 .1281 .0780     .018   .019   .021   .012   .005  -.005  -.002
O4   .2272 .1353 .5114     .015   .013   .019   .012  -.005   .000   .002
Ow1  .4904 .0903 .7262     .015   .013   .021   .012  -.003   .001  -.002
Ow2  .6334   .25 .5449     .033   .022   .018   .060      0   .010      0
Ow3a .3850   .25 .6056 .86 .024   .023   .017   .032      0  -.004      0
Ow3b  .391   .25  .480 .14 .024   .023   .017   .032      0  -.004      0
H1    .428 .0965  .817     .031
H2    .565 .1015  .787     .039
H3    .681 .2131  .510     .045
H4    .337 .2105  .552     .045
H5    .495   .25   .56     .045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rhomboclase
Download hom/rhomboclase.pdf
Majzlan J, Navrotsky A, McCleskey R B, Alpers C N
 
European Journal of Mineralogy 18 (2006) 175-186
Thermodynamic properties and crystal structure refinement of
ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5
Locality: synthetic
_database_code_amcsd 0007142
9.7226 18.2800 5.4270 90 90 90 Pnma
atom     x     y     z  occ  Uiso
Fe       0     0     0      .0296
S    .2375 .0868 .2849      .0330
O1   .3264 .0217  .343      .0446
O2   .0932 .0557  .253      .0446
O3   .2881 .1203  .063      .0446
O4   .2269 .1329  .505      .0446
Wat5 .4884 .0869  .733  .75 .0446
OH35 .4884 .0869  .733  .25 .0446
Wat6 .6318   1/4  .550  .75 .0446
OH36 .6318   1/4  .550  .25 .0446
Wat7 .3916   1/4  .584 .671 .0446
OH37 .3916   1/4  .584 .224 .0446
Wat8  .428   1/4  .141 .079 .0446
OH38  .428   1/4  .141 .026 .0446
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rhomboclase
Download hom/rhomboclase.pdf
Mereiter K
 
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 216-232
Die Kristallstruktur von Rhomboklas, H5O2+{Fe[SO4]2*2H2O}-
Locality: synthetic
_database_code_amcsd 0015649
9.724 18.3330 5.421 90 90 90 Pnma
atom      x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Fe        0      0      0          .002062 .000751 .008337  .000126 -.000047 -.000277
S    .23640 .08857 .28941          .002432 .000722 .008422  .000028 -.000427  .000075
O1   .32479 .02403 .33763          .002988 .000684 .015568  .000407 -.001897  .000377
O2   .09503 .05992 .24729          .002062 .001592 .013696  .000056 -.000901 -.001811
O3   .28600 .12742 .07466          .006028 .001897 .014122  .000463  .002514  .001761
O4   .22899 .13521  .5079          .004283 .001339 .012846 -.000266 -.000285 -.001711
O5   .49053 .09008 .72747          .003702 .001294 .011229  .000547 -.000711 -.000931
O6    .6355    .25  .5502          .007958 .000350 .058274  .000000  .005407  .000000
O7    .3859    .25  .5997 .81      .007430 .001205 .038283  .000000 -.001850  .000000
O8    .3913    .25  .4673 .19 2.42
H1     .406   .103   .832       3.
H2     .578   .105   .825       3.
H3      .69   .207   .507       3.
H4     .328   .208   .561 .81   3.
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: 3
View in amc, download in amc

Return to AMCSD Home Page