American Mineralogist Crystal Structure Database

1 matching records for this search.

Whitlockite
Download hom/whitlockite.pdf
Tsirlin A A, Dikarev E V, Shpanchenko R V, Antipov E V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=62&spage=13
Acta Crystallographica C62 (2006) i13-i15
A new whitlockite, Ca8.42Na1.16V(PO4)7
Locality: synthetic
_database_code_amcsd 0010333
10.3273 10.3273 37.098 90 90 120 R3c
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1  .47745 .94303 .366928 .936 .00863 .00882 .00833  .0090 .00449  .00078  .00014
Ca2  .20426 .82509 .499885 .936 .00806 .00893 .00759 .00776 .00422  .00085 -.00043
Ca3  .79266 .60531 .426576 .936 .00783  .0059  .0109  .0074 .00476 -.00024  .00287
Na1       0      0  .45676  .29  .0116  .0122  .0122  .0105  .0061       0       0
Na2  .79266 .60531 .426576  .29 .00783  .0059  .0109  .0074 .00476 -.00024  .00287
V       1/3    2/3 .435576      .00602 .00558 .00558  .0069 .00279       0       0
P1      2/3    1/3  .36911      .00679  .0055  .0055  .0094 .00274       0       0
P2   .48571 .47541 .465697      .00599  .0062  .0061  .0064 .00367   .0001  .00009
P3   .17400 .86029 .403712      .00643  .0060  .0063  .0072 .00322  .00003  .00021
O1      2/3    1/3  .41030       .0115  .0124  .0124  .0096  .0062       0       0
O2   .42872 .83736  .47201       .0096  .0070  .0070  .0137  .0028   .0006   .0019
O3   .51579 .47258  .42569       .0087  .0091  .0094  .0072  .0043   .0002  -.0001
O4   .27556 .99779  .38046       .0085  .0103  .0089  .0071  .0054   .0008   .0017
O5   .24821 .75839  .40139       .0103  .0086  .0071  .0162  .0048   .0001  -.0004
O6   .01562 .76711  .38913       .0120  .0066  .0143  .0128  .0033  -.0022   .0013
O7   .63333 .55003  .48613       .0120  .0091  .0147  .0106  .0048  -.0031  -.0008
O8   .52275 .32709  .35553       .0140  .0091  .0129  .0214  .0066  -.0046  -.0049
O9   .17915 .91481  .44209       .0138  .0145  .0162  .0084  .0059   .0004  -.0006
O10  .37735 .31579  .47842       .0106  .0126  .0080  .0105  .0045   .0018   .0001
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