American Mineralogist Crystal Structure Database

3 matching records for this search.

Paracelsian
Download hom/paracelsian.pdf
Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J
Download am/vol70/AM70_969.pdf
American Mineralogist 70 (1985) 969-974
Two independent refinements of the structure of paracelsian, BaAl2Si2O8
Locality: Benallt Mine, Carnarvonshire, U.K.
Sample: CG refinement
_database_code_amcsd 0000997
9.072 9.588 8.577 90 90.21 90 P2_1/a
atom      x      y      z Uiso
Ba   .89778 .41169 .25051 .008
Al1  .06389 .19453 .57128 .005
Si1  .06737 .19879 .93951 .005
Al2  .22539 .92092 .93134 .005
Si2  .23099 .91692 .56341 .006
O1o   .1953  .0886  .9985 .010
O1m   .1935  .0737  .5044 .010
O2o   .1285  .3604  .9569 .008
O2m   .1313  .3632  .5450 .008
O3o   .9273  .1850  .0575 .010
O3m   .9117  .1852  .4494 .010
O4    .0192  .1666  .7632 .013
O5    .2936  .9107  .7422 .011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Paracelsian
Download hom/paracelsian.pdf
Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J
Download am/vol70/AM70_969.pdf
American Mineralogist 70 (1985) 969-974
Two independent refinements of the structure of paracelsian, BaAl2Si2O8
Locality: Benallt Mine, Carnarvonshire, U.K.
Sample: CLG refinement
_database_code_amcsd 0000998
9.065 9.568 8.578 90 90.01 90 P2_1/a
atom      x      y      z Uiso
Ba   .89785 .41174 .25107 .008
Al1   .0642  .1939  .5726 .005
Si1   .0688  .1994  .9411 .004
Al2   .2242  .9214  .9302 .005
Si2   .2307  .9167  .5625 .005
O1o   .1948  .0898  .9991 .008
O1m   .1925  .0725  .5038 .011
O2o   .1272  .3605  .9556 .010
O2m   .1315  .3642  .5445 .008
O3o   .9298  .1848  .0595 .008
O3m   .9091  .1844  .4495 .005
O4    .0188  .1657  .7642 .012
O5    .2916  .9108  .7390 .009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Paracelsian
Download hom/paracelsian.pdf
Smith J V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=6&spage=613
Acta Crystallographica 6 (1953) 613-620
The crystal structure of paracelsian, BaAl2Si2O8