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Stillwellite-(La) |
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Chi L, Chen H, Zhuang H, Huang J |
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Journal of Alloys and Compounds 252 (1997) L12-L15 |
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Crystal structure of LaBSiO5 |
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Locality: synthetic |
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_database_code_amcsd 0018730 |
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6.874 6.874 6.717 90 90 120 P3_1 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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La .66655 .74270 .5 .398 .00374 .00465 .00635 .00182 .00023 .00021 |
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B .5573 .3327 .169 1.20 .0059 .0087 .033 .0053 .007 .013 |
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Si .6667 .7487 .0052 .38 .0055 .0038 .0056 .0028 .0003 .0002 |
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O1 .3248 .1405 .1946 .58 .0062 .0063 .0076 .0017 -.0021 .0013 |
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O2 .5188 .5261 .1462 .63 .0087 .0049 .0103 .0035 .0035 .0007 |
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O3 .8068 -.0638 .1659 .89 .0132 .0069 .008 .0012 -.0009 -.0013 |
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O4 .2046 .7303 .1755 .86 .0170 .0067 .0085 .0056 -.0003 -.0003 |
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O5 .7196 .3363 .2910 .58 .62 .007 .010 .005 .0030 -.002 .001 |
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O5' .717 .331 .0489 .42 .60 .011 .012 .002 .007 .001 .002 |
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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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Stillwellite-(La) |
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Belokoneva E L, Shuvaeva V A, Antipin M Yu, Leonyuk N I |
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Zhurnal Neorganicheskoi Khimii 41 (1996) 1097-1101 |
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Crystal structure of a high-temperature modification of LaBSiO5, |
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a synthetic analog of stillwellite |
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Note: T = 273 K |
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Locality: Synthetic |
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_database_code_amcsd 0018731 |
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6.838 6.838 6.773 90 90 120 P3_1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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La .59784 .00000 0 .37 .00249 .00178 .00250 .00092 .00000 .00000 |
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B .111 .001 .000 .47 .00285 .00285 .00327 .00142 -.00062 -.00124 |
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Si .5825 .0000 .499 .40 .00228 .00356 .00223 .00164 .00000 .00000 |
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O1 .343 .191 .027 .58 .00285 .00213 .00436 .00000 .00124 -.00124 |
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O2 .191 .343 .307 .54 .00213 .00285 .00381 .00000 .00124 -.00124 |
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O3 .603 .466 .330 .69 .00285 .00712 .00327 .00213 -.00062 -.00062 |
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O4 .466 .603 .002 .69 .00712 .00285 .00327 .00213 .00000 .00062 |
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O5 .000 .037 .833 1.87 .02281 .00784 .01090 .01140 -.01246 -.00623 |
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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)
|
| |
|
Stillwellite-(La) |
| |
Belokoneva E L, Shuvaeva V A, Antipin M Yu, Leonyuk N I |
| |
Zhurnal Neorganicheskoi Khimii 41 (1996) 1097-1101 |
|
Crystal structure of a high-temperature modification of LaBSiO5, |
|
a synthetic analog of stillwellite |
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Note: T = 473 K |
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Locality: Synthetic |
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_database_code_amcsd 0018732 |
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6.827 6.827 6.779 90 90 120 P3_121 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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La .5988 0 .3333 .009 .009 .007 .010 .003 .000 .000 |
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Si .5826 0 .8333 .008 .008 .009 .009 .005 .000 -.001 |
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B .109 0 .3333 .009 .009 .010 .009 .005 -.001 -.001 |
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O1 .8497 .6564 .0282 .011 .013 .008 .017 .008 -.007 -.002 |
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O2 .8654 .3961 .3292 .018 .021 .012 .012 .000 .000 .002 |
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O3 .037 0 .8333 .031 .022 .061 .024 .031 .015 .031 |
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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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