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Paracelsian |
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Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J |
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American Mineralogist 70 (1985) 969-974 |
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Two independent refinements of the structure of paracelsian, BaAl2Si2O8 |
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Locality: Benallt Mine, Carnarvonshire, U.K. |
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Sample: CG refinement |
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_database_code_amcsd 0000997 |
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9.072 9.588 8.577 90 90.21 90 P2_1/a |
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atom x y z Uiso |
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Ba .89778 .41169 .25051 .008 |
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Al1 .06389 .19453 .57128 .005 |
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Si1 .06737 .19879 .93951 .005 |
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Al2 .22539 .92092 .93134 .005 |
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Si2 .23099 .91692 .56341 .006 |
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O1o .1953 .0886 .9985 .010 |
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O1m .1935 .0737 .5044 .010 |
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O2o .1285 .3604 .9569 .008 |
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O2m .1313 .3632 .5450 .008 |
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O3o .9273 .1850 .0575 .010 |
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O3m .9117 .1852 .4494 .010 |
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O4 .0192 .1666 .7632 .013 |
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O5 .2936 .9107 .7422 .011 |
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| 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 |
|
Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J |
|
American Mineralogist 70 (1985) 969-974 |
|
Two independent refinements of the structure of paracelsian, BaAl2Si2O8 |
|
Locality: Benallt Mine, Carnarvonshire, U.K. |
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Sample: CLG refinement |
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_database_code_amcsd 0000998 |
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9.065 9.568 8.578 90 90.01 90 P2_1/a |
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atom x y z Uiso |
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Ba .89785 .41174 .25107 .008 |
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Al1 .0642 .1939 .5726 .005 |
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Si1 .0688 .1994 .9411 .004 |
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Al2 .2242 .9214 .9302 .005 |
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Si2 .2307 .9167 .5625 .005 |
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O1o .1948 .0898 .9991 .008 |
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O1m .1925 .0725 .5038 .011 |
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O2o .1272 .3605 .9556 .010 |
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O2m .1315 .3642 .5445 .008 |
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O3o .9298 .1848 .0595 .008 |
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O3m .9091 .1844 .4495 .005 |
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O4 .0188 .1657 .7642 .012 |
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O5 .2916 .9108 .7390 .009 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Paracelsian |
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Smith J V |
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Acta Crystallographica 6 (1953) 613-620 |
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The crystal structure of paracelsian, BaAl2Si2O8 |
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Locality: Benallt Mine, near Rhiw, Carnarvonshire, U.K. |
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_database_code_amcsd 0009156 |
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9.076 9.583 8.578 90 90 90 Pnam |
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atom x y z occ |
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Ba .8973 .4123 .25 |
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Al1 .065 .1961 .9354 .5 |
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Si1 .065 .1961 .9354 .5 |
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Al2 .2283 .9173 .9337 .5 |
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Si2 .2283 .9173 .9337 .5 |
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O1 .193 .0883 .998 |
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O2 .1287 .362 .954 |
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O3 .925 .1875 .0646 |
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O4 .0067 .173 .75 |
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O5 .291 .912 .75 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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