American Mineralogist Crystal Structure Database

2 matching records for this search.

Cavansite
Download hom/cavansite.pdf
Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G
 
The Canadian Mineralogist 49 (2011) 1267-1272
The crystal structure of cavansite: location of the H2O molecules and
hydrogen atoms in Ca(VO)(Si4O10)*4H2O
Note: T = 100 K
Locality: Pune, India
_database_code_amcsd 0018620
9.7518 13.6854 9.5965 90 90 90 Pcmn
atom       x       y       z   Uiso
V    .403461     .25 .527127 .00441
Ca   .081188     .25 .384158 .00538
Si1  .092905 .033726 .184986 .00382
Si2  .314548 .043079 .394816 .00367
O1    .08484 .150457  .17923 .00609
O2    .29352 .157711  .41364 .00677
O3    .44562 .019683  .29592 .00688
O4    .16568 .989344  .04467 .00605
O5    .18145 .995496  .31844 .00555
O6    .55289     .25  .45740 .01021
OW7   .94626  .11855  .47063 .01585
H7a   -.1211   .1117   .4266   .034
H7b   -.0728   .0887   .5460   .031
OW8   .13254     .25  .63927 .01471
H8a    .1283   .2993   .6935   .047
OW9   .81138     .25  .28676 .02668
H9a   -.2705     .25   .3162   .033
H9b    -.202     .25    .197   .057
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G
 
The Canadian Mineralogist 49 (2011) 1267-1272
The crystal structure of cavansite: location of the H2O molecules and
hydrogen atoms in Ca(VO)(Si4O10)*4H2O
Note: T = 296 K
Locality: Pune, India
_database_code_amcsd 0018621
9.7614 13.6666 9.6049 90 90 90 Pcmn
atom      x      y      z   Uiso
V    .40796    .25 .52610 .00958
Ca   .08632    .25 .38270 .01177
Si1  .09326 .03399 .18476 .00784
Si2  .31501 .04327 .39474 .00758
O1   .08426 .15083 .17913 .01217
O2   .29503 .15790 .41533 .01367
O3   .44570 .01877 .29636 .01436
O4   .16543 .98960 .04456 .01233
O5   .18173 .99676 .31835 .01163
O6   .55529    .25 .45570  .0235
OW7   .9388 .12314  .4635  .0654
H7a  -.1294  .1168  .4201   .078
H7b  -.0801  .0936  .5387   .078
OW8   .1128    .25  .6393  .0541
H8a   .1083  .2993  .6932   .065
OW9   .8098    .25   .295   .396
H9a  -.2717    .25  .3235   .475
H9b  -.2046    .25  .2052   .475
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
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