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American Mineralogist Crystal Structure Database

1 matching records for this search.

Poppiite
  
Brigatti M F, Caprilli E, Marchesini M
Download am/vol91/AM91_584.pdf 
American Mineralogist 91 (2006) 584-588
Poppiite, the V3+ end-member of the pumpellyite group: Description and crystal structure
Locality: Gambatesa mine, val Graveglia, Genova, Northern Italy
_database_code_amcsd 0004139
19.2889 6.0444 8.8783 90 97.328 90 C2/m
atom      x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaW1  .3397    .5 .2525 .96 .012   .010   .013   .015      0   .003      0
NaW1  .3397    .5 .2525 .04 .012   .010   .013   .015      0   .003      0
CaW2  .1556    .5 .1918 .96 .015   .011   .010   .023      0  -.001      0
NaW2  .1556    .5 .1918 .04 .015   .011   .010   .023      0  -.001      0
V3+X    .25   .25    .5 .32 .010   .011   .009   .012   .001   .002   .001
Fe3+X   .25   .25    .5 .26 .010   .011   .009   .012   .001   .002   .001
MgX     .25   .25    .5 .20 .010   .011   .009   .012   .001   .002   .001
Mn2+X   .25   .25    .5 .15 .010   .011   .009   .012   .001   .002   .001
AlX     .25   .25    .5 .08 .010   .011   .009   .012   .001   .002   .001
Cu2+X   .25   .25    .5 .01 .010   .011   .009   .012   .001   .002   .001
V3+Y  .4954 .2476 .2536 .86 .008   .008   .008   .009      0   .001      0
AlY   .4954 .2476 .2536 .13 .008   .008   .008   .009      0   .001      0
TiY   .4954 .2476 .2536 .01 .008   .008   .008   .009      0   .001      0
SiT1  .0932     0 .0509 .97 .009   .008   .009   .009      0   .001      0
AlT1  .0932     0 .0509 .03 .009   .008   .009   .009      0   .001      0
SiT2  .2489     0 .1637 .97 .010   .010   .008   .011      0  -.001      0
AlT2  .2489     0 .1637 .03 .010   .010   .008   .011      0  -.001      0
SiT3  .4020     0 .4653 .97 .009   .008   .010   .009      0   .001      0
AlT3  .4020     0 .4653 .03 .009   .008   .010   .009      0   .001      0
O1    .0754 .2218 .1386     .012   .013   .011   .014   .001   .004  -.001
O2    .2471 .2280 .2627     .012   .013   .010   .014      0   .001  -.002
O3    .4140 .2193 .3649     .012   .012   .011   .013   .002   .002   .002
O4    .4425    .5 .1274     .010   .011   .011   .009      0      0      0
O5    .4580     0 .1253     .013   .014   .016   .009      0      0      0
O6    .0458    .5 .3736     .011   .010   .011   .011      0  -.001      0
O7    .5329    .5 .3752     .014   .020   .013   .009      0   .001      0
O8    .1781     0 .0346     .012   .009   .015   .012      0      0      0
O9    .3244     0 .5252     .014   .008   .020   .014      0   .001      0
O10   .3143     0 .0638     .016   .010   .022   .015      0   .003      0
O11   .1846     0 .4980     .014   .011   .019   .012      0   .002      0
H5     .468     0  .034     .025
H7     .541    .5  .483     .020
H10    .365     0  .104     .021
H11    .142     0  .438     .025


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