|
Andradite |
 |
Galuskina I O, Galuskin E V, Dzierzanowski P, Armbruster T, Kozanecki M |
 |
American Mineralogist 90 (2005) 1688-1692 |
|
A natural scandian garnet |
|
_database_code_amcsd 0003948 |
|
12.331 12.331 12.331 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA .875 0 .75 .99 .0174 .0131 .0195 .0195 0 0 .0047 |
|
MgA .875 0 .75 .01 .0174 .0131 .0195 .0195 0 0 .0047 |
|
Fe3+B 0 0 0 .332 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
ZrB 0 0 0 .292 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
Ti4+B 0 0 0 .147 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
ScB 0 0 0 .077 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
CrB 0 0 0 .076 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
MgB 0 0 0 .047 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
Fe2+B 0 0 0 .020 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
HfB 0 0 0 .004 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
VB 0 0 0 .002 .0119 .0119 .0119 .0119 .0006 .0006 .0006 |
|
SiT .125 0 .75 .633 .0100 .0069 .0115 .0115 0 0 0 |
|
AlT .125 0 .75 .140 .0100 .0069 .0115 .0115 0 0 0 |
|
Ti4+T .125 0 .75 .120 .0100 .0069 .0115 .0115 0 0 0 |
|
Fe3+T .125 0 .75 .107 .0100 .0069 .0115 .0115 0 0 0 |
|
O .0366 .0493 .6539 .0194 .0210 .0132 .0241 -.0027 .0057 -.0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vesuvianite |
|
Galuskin E V, Galuskina I O, Stadnicka K, Armbruster T, Kozanecki M |
| |
The Canadian Mineralogist 45 (2007) 239-248 |
|
The crystal structure of Si-deficient, OH-substituted, boron-bearing |
|
vesuvianite from the Wiluy River, Sakha-Yakutia, Russia |
|
Locality: Wiluy River, Sakha-Yakutia, Russia |
|
_database_code_amcsd 0006135 |
|
15.678 15.678 11.828 90 90 90 *P4/nnc |
|
.25 .25 .25 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaX1 .75 .25 .75 .01807 .02298 .01571 .01553 0 0 0 |
|
CaX2 .68891 .04439 .87814 .01699 .01541 .01942 .01615 -.00147 .00182 .00096 |
|
CaX3 .40049 .18009 .60724 .02965 .02418 .02343 .04135 -.00186 .01190 -.00296 |
|
CaX'4 .75 -.25 .85351 .5 .01690 .0144 .0144 .0219 0 0 0 |
|
AlY'1 .75 -.25 .95483 .157 .0317 .0216 .0216 .0519 0 0 0 |
|
MgY'1 .75 -.25 .95483 .079 .0317 .0216 .0216 .0519 0 0 0 |
|
FeY'1 .75 -.25 .95483 .211 .0317 .0216 .0216 .0519 0 0 0 |
|
MnY'1 .75 -.25 .95483 .053 .0317 .0216 .0216 .0519 0 0 0 |
|
AlY2 .5 0 .5 .667 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 |
|
MgY2 .5 0 .5 .333 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 |
|
AlY3 .61234 .38005 .87360 .667 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 |
|
MgY3 .61234 .38005 .87360 .333 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 |
|
BT1 .4436 .0564 .75 .067 .05 |
|
BT2 .25 .25 .75 .216 .05 |
|
SiZ1 .75 .25 1 .748 .01093 .0108 .0108 .0111 0 0 0 |
|
SiZ2 .54229 .18060 .87209 .842 .01283 .01434 .01176 .01238 .00063 .00153 .00121 |
|
SiZ3 .65065 -.08408 .63561 .01705 .01509 .01972 .01632 -.00160 -.00068 .00177 |
|
O1 .72007 .32942 .91234 .748 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 |
|
OH1 .72007 .32942 .91234 .252 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 |
|
O2 .61819 .15945 .77901 .842 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 |
|
OH2 .61819 .15945 .77901 .158 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 |
|
O3 .54820 .27829 .92458 .842 .02002 .0223 .0212 .0166 .0023 .0002 .0019 |
|
OH3 .54820 .27829 .92458 .158 .02002 .0223 .0212 .0166 .0023 .0002 .0019 |
|
O4 .56310 .10551 .97153 .842 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 |
|
OH4 .56310 .10551 .97153 .158 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 |
|
O5 .67020 .01257 .67890 .01902 .0178 .0233 .0159 -.0044 -.0003 .0004 |
|
O6 .72558 -.12034 .55705 .02455 .0210 .0319 .0208 .0019 .0029 .0061 |
|
O7 .44543 .17227 .82196 .842 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 |
|
OH7 .44543 .17227 .82196 .158 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 |
|
O8 .59180 -.06063 .93132 .01796 .0180 .0180 .0179 -.0015 .0023 -.0006 |
|
O9 .64567 -.14567 .75 .02038 .0220 .0220 .0172 -.0007 .0007 .0007 |
|
O10 .25 .25 .64874 .91 .0672 .0508 .0508 .1001 0 0 0 |
|
Cl10 .25 .25 .64874 .09 .0672 .0508 .0508 .1001 0 0 0 |
|
O11 .43760 -.00323 .86201 .02173 .0221 .0226 .0205 .0009 .0008 .0031 |
|
H .4702 .0064 .8098 .7 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
