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American Mineralogist Crystal Structure Database

2 matching records for this search.

Metarossite
Download hom/metarossite.pdf
Kelsey C H, Barnes W H
Download cm/vol6/CM6_448.pdf
The Canadian Mineralogist 6 (1960) 448-466
The crystal structure of metarossite
Locality: Thompson's, Utah, USA
_database_code_amcsd 0005077
6.21 7.06 7.76 92.97 96.65 105.78 P-1
atom     x     y     z Biso
Ca   .7595 .4665 .1470  3.0
V1   .4485 .1020 .3360  3.0
V2   .3750 .5830 .3450  3.0
O1   .3915 .8400 .4170  4.0
O2   .5170 .3920 .3835  4.0
O3   .8610 .7555 .3655  4.0
O4   .1050 .4730 .3345  4.0
O5   .1930 .0635 .2350  4.0
O6   .6245 .1170 .1870  4.0
O7   .4300 .6000 .1460  4.0
O8   .0070 .7210 .0130  4.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Metarossite
Download hom/metarossite.pdf
Kobsch A, Downs R T, Domanik K J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=72&spage=1280
Acta Crystallographica E72 (2016) 1280-1284
Redetermination of metarossite, CaV5+2O6*2H2O
Locality: Blue Cap mine, San Juan County, Utah, USA
_database_code_amcsd 0020635
6.2059 7.0635 7.7516 93.166 96.548 105.883 P-1
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca    .76198 .46290  .14941 .968 .01347 .01257 .01497 .01215 .00252  .00183  .00180
V1    .44830 .10219  .33436 .942 .00985 .01314 .00689 .00852 .00176  .00029  .00008
V2    .37324 .58262  .34627 .943 .00920 .01155 .00736 .00783 .00227 -.00091 -.00009
O1    .40476 .84797  .41681      .01664 .02508 .01093 .01229 .00370 -.00027  .00015
O2    .52482 .38667  .38662      .01327 .01503 .01121 .01325 .00425 -.00018 -.00021
OW3   .85213 .76371  .36687      .02623 .02640 .02282 .02687 .00343  .00125  .00288
O4    .10320 .47262  .33287      .01847 .01625 .01835 .01913 .00331 -.00053  .00142
O5    .18964 .06833  .23183      .02388 .02485 .01575 .02663 .00318 -.00760  .00017
O6    .62123 .11132  .19093      .02646 .03907 .01751 .02313 .00431  .01535  .00022
O7    .43045 .59975  .14080      .01860 .02204 .01948 .01457 .00689  .00091  .00193
OW8   .00442 .72245  .00603      .01890 .02250 .01544 .01564 .00165 -.00088  .00082
H1    .94305 .74965  .45527         .04
H2    .91127 .88151  .32691         .04
H3    .07556 .81965  .07351         .04
H4   -.06818 .77591 -.08228         .04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
View in amc, download in amc

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