Vesuvianite
Galuskin E V, Armbruster T, Malsy A, Galuskina I O, Sitarz M
The Canadian Mineralogist 41 (2003) 843-856
Morphology, composition and structure of low-temperature P4/nnc high-fluorine
vesuvianite whiskers from Polar Yakutia, Russia
Sample: VES2
Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
_database_code_amcsd 0005862
15.529 15.529 11.772 90 90 90 *P4/nnc
.25 .25 .25
atom       x       y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX1     3/4     1/4    3/4       .76  .0137  .0084  .0067      0      0      0
CaX2  .68884  .04336 .87960       .66  .0071  .0102  .0078 -.0008  .0003  .0000
CaX3  .40146  .17832 .61405      1.00  .0113  .0111  .0157 -.0040  .0053 -.0030
CaX'4    3/4    -1/4  .8627  .46 1.37   .011   .011   .031      0      0      0
NaX'4    3/4    -1/4  .8627  .04 1.37   .011   .011   .031      0      0      0
FeY'1    3/4    -1/4  .9377   .5 1.95   .011   .011   .052      0      0      0
AlY2     1/2       0    1/2       .60  .0066  .0066  .0094 -.0018  .0008  .0009
AlY3  .61260  .37902  .8736 .800  .50  .0061  .0071  .0060 -.0006  .0011  .0002
FeY3  .61260  .37902  .8736 .030  .50  .0061  .0071  .0060 -.0006  .0011  .0002
MgY3  .61260  .37902  .8736 .129  .50  .0061  .0071  .0060 -.0006  .0011  .0002
TiY3  .61260  .37902  .8736 .041  .50  .0061  .0071  .0060 -.0006  .0011  .0002
SiZ1     3/4     1/4      0 .948  .25  .0037  .0037   .002      0      0      0
SiZ2  .54095  .18100  .8712       .52  .0061  .0059  .0076  .0005  .0003  .0005
SiZ3  .65064 -.08227 .63500       .60  .0062  .0098  .0069 -.0002  .0005  .0005
O1     .7197   .3275  .9147       .69   .011   .006   .009   .000  -.001   .000
O2     .6169   .1597  .7783       .73   .011   .008   .009   .001   .000   .002
O3     .5497   .2786  .9237       .64   .008   .008   .008   .001   .002   .001
O4     .5622   .1066  .9699       .65   .009   .008   .008   .000   .001   .002
O5     .6702   .0156  .6783       .84   .011   .012   .009  -.003  -.001   .000
O6     .7289  -.1172  .5599      1.26   .012   .024   .012   .000   .002   .003
O7     .4443   .1745  .8226       .77   .008   .011   .010   .001   .000  -.001
O8     .5903  -.0607  .9345       .66   .008   .008   .008   .001  -.001  -.001
O9     .6431  -.1431    3/4       .97   .014   .014   .008  -.001  -.002  -.002
O10A     3/4    -1/4   .103   .5  2.0   .018   .018    .04      0      0      0
Cl10B    3/4    -1/4   .165  .23  1.8   .004   .004   .059      0      0      0
F10B     3/4    -1/4   .165 .274  1.8   .004   .004   .059      0      0      0
F11    .4377  -.0053  .8640  .35  .81   .011   .012   .007   .000   .000   .001
O11    .4377  -.0053  .8640  .65  .81   .011   .012   .007   .000   .000   .001
H11     .437    .022   .798  .65 3.95