|
Vesuvianite |
 |
Rucklidge J C, Kocman V, Whitlow S H, Gabe E J |
|
The Canadian Mineralogist 13 (1975) 15-21 |
|
The crystal structures of three Canadian vesuvianites |
|
Sample: #1 Great Slave Lake |
|
_database_code_amcsd 0005100 |
|
15.516 15.516 11.769 90 90 90 *P4/nnc |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si1 -.25 .25 0 .00062 .00062 .00084 0 0 0 |
|
Si2 -.18095 .04039 .87113 .00046 .00046 .00086 -.00001 -.00004 .00007 |
|
Si3 -.08263 -.15099 .36485 .00086 .00037 .00090 .00004 .00000 -.00003 |
|
Ca1 -.25 .25 .25 .00127 .00067 .00063 0 0 0 |
|
Ca2 -.18893 .04379 .37938 .00055 .00071 .00091 .00006 -.00007 .00000 |
|
Ca3 -.10047 -.17982 .88629 .00078 .00068 .00212 .00016 -.00044 -.00016 |
|
CaC -.25 -.25 .14092 .460 .00109 .00109 .00216 0 0 0 |
|
FeC -.25 -.25 .14092 .040 .00109 .00109 .00216 0 0 0 |
|
FeB -.25 -.25 .05702 .558 .00062 .00062 .00860 0 0 0 |
|
Al -.11319 .12107 .12631 .876 .00064 .00067 .00112 -.00003 .00009 -.00002 |
|
Fe -.11319 .12107 .12631 .124 .00064 .00067 .00112 -.00003 .00009 -.00002 |
|
AlA 0 0 0 .998 .00043 .00043 .00118 .00013 -.00001 .00001 |
|
FeA 0 0 0 .002 .00043 .00043 .00118 .00013 -.00001 .00001 |
|
O1 -.22040 .17294 .08628 .00122 .00073 .00118 -.00010 -.00003 .00008 |
|
O2 -.11681 .15987 .27910 .00078 .00099 .00166 -.00030 -.00036 .00006 |
|
O3 -.04907 .22158 .07539 .00089 .00070 .00121 .00000 .00017 -.00016 |
|
O4 -.06169 .10677 .47056 .00085 .00081 .00150 -.00004 -.00028 .00040 |
|
O5 -.16969 .01546 .17907 .00087 .00132 .00138 .00045 -.00002 .00007 |
|
O6 -.11719 -.27076 .05942 .00200 .00091 .00189 .00034 .00029 .00047 |
|
O7 .05622 .17440 .32233 .00073 .00105 .00188 .00011 .00003 .00005 |
|
O8 -.06063 -.09039 .06656 .00072 .00078 .00177 -.00003 .00029 .00017 |
|
O9 -.14457 -.14457 .25 .00134 .00134 .00097 -.00057 -.00024 .00024 |
|
O10 -.25 -.25 .86625 .00111 .00111 .00422 0 0 0 |
|
OH -.00425 .06216 .13628 .61 .00074 .00088 .00093 -.00013 -.00019 -.00007 |
|
F -.00425 .06216 .13628 .39 .00074 .00088 .00093 -.00013 -.00019 -.00007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
