American Mineralogist Crystal Structure Database

1 matching records for this search.

Phosphovanadylite-Ca
 
Kampf A R, Nash B P, Loomis T A
 
American Mineralogist 98 (2013) 439-443
Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba
Locality: South Rasmussen phosphate mine, Soda Springs, Caribou County, Idaho, USA
_database_code_amcsd 0019780
15.441 15.441 15.441 90 90 90 I-43m
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
V    .42846 .42846 .0814 .87 .0426  .0410  .0410   .046   .007 -.0005 -.0005
Al   .42846 .42846 .0814 .13 .0426  .0410  .0410   .046   .007 -.0005 -.0005
P       .25     .5     0      .049   .051   .048   .048   .000   .000   .000
O1    .4357  .3059 .0515      .042   .035   .038   .053  -.001   .016  -.003
OH2   .4214  .4214 .1866      .050   .046   .046   .059  -.007  -.008  -.008
OH3   .5561 -.5561 .0664      .043   .044   .044   .041   .005   .005  -.005
Ca    .6590 -.6590 .1605 .25  .272   .255   .255    .31    .01  -.128   .128
Wat1  .6590 -.6590 .1605 .61  .272   .255   .255    .31    .01  -.128   .128
Wat2  .2938  .2938 .2938      .194   .194   .194   .194    .05    .05    .05
Wat3  .3361   .452 .3361 .56   .13    .11    .19    .11  -.020    .06  -.020
Wat4  .2451   .490 .2451      .221   .134    .40   .134   .009   .001   .009
Wat5   .345   .542 -.542 .67   .43    .15    .56    .56   -.11    .11    .13
Wat6   .309   .691 -.691 .54   .44    .44    .44    .44    .21   -.21    .21
Wat7   .295   .596 -.596 .20   .15
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