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: VES1
Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
_database_code_amcsd 0005861
15.536 15.536 11.781 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        .73  .0127  .0094  .0055      0      0      0
CaX2  .68911  .04353 .87969       .643  .0073  .0102  .0069 -.0011  .0008  .0003
CaX3  .40087  .17881 .61380      1.002  .0117  .0111  .0153 -.0033  .0046 -.0028
CaX4     3/4    -1/4  .8612  .46  1.02  .0094  .0094   .020      0      0      0
NaX4     3/4    -1/4  .8612  .04  1.02  .0094  .0094   .020      0      0      0
FeY1     3/4    -1/4  .9410   .5  1.88  .0089  .0089   .054      0      0      0
AlY2     1/2       0    1/2        .55  .0066  .0060  .0082 -.0007 -.0006  .0008
AlY3  .61247  .37918 .87343 .750   .54  .0075  .0071  .0059 -.0003  .0007  .0000
FeY3  .61247  .37918 .87343 .041   .54  .0075  .0071  .0059 -.0003  .0007  .0000
MgY3  .61247  .37918 .87343 .155   .54  .0075  .0071  .0059 -.0003  .0007  .0000
TiY3  .61247  .37918 .87343 .054   .54  .0075  .0071  .0059 -.0003  .0007  .0000
SiZ1     3/4     1/4      0 .955   .36  .0054  .0054  .0029      0      0      0
SiZ2  .54086  .18095 .87130        .50  .0072  .0063  .0056  .0000  .0005  .0002
SiZ3  .65062 -.08243 .63537        .59  .0059  .0104  .0059 -.0005 -.0001 -.0005
O1     .7196   .3275  .9143        .67  .0113  .0073  .0070 -.0001  .0002 -.0002
O2     .6171   .1597  .7791        .72  .0090  .0091  .0092 -.0002  .0018  .0010
O3     .5495   .2785  .9240        .61  .0086  .0077  .0069  .0001 -.0001  .0003
O4     .5623   .1066  .9703        .65  .0096  .0071  .0080 -.0002  .0016  .0008
O5     .6700   .0157  .6787        .79  .0087  .0126  .0088 -.0030 -.0008 -.0009
O6     .7289  -.1167  .5593       1.15  .0114   .023  .0099  .0034  .0025  .0021
O7     .4440   .1743  .8225        .84  .0088  .0120  .0111 -.0010 -.0012  .0010
O8     .5906  -.0609  .9337        .71  .0093  .0086  .0091 -.0002  .0017 -.0019
O9     .6436  -.1436    3/4        .90  .0136  .0136   .007   .002  .0005  .0005
O10A     3/4    -1/4   .111   .5   2.7   .025   .025   .054      0      0      0
Cl10B    3/4    -1/4  .1633 .216   2.9   .010   .010   .091      0      0      0
F10B     3/4    -1/4  .1633 .284   2.9   .010   .010   .091      0      0      0
F11    .4374  -.0051  .8643 .289   .81  .0120  .0100  .0089  .0000  .0005  .0016
O11    .4374  -.0051  .8643 .711   .81  .0120  .0100  .0089  .0000  .0005  .0016
H11     .457    .013   .809 .711  3.95
AlT1    .440   .060     3/4 .016   .79