American Mineralogist Crystal Structure Database

3 matching records for this search.

Corundum
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Tsirelson V, Antipin M, Gerr R, Ozerov R, Struchkov Y
 
Physica Status Solidi A87 (1985) 425-433
Ruby structure peculiarities derived from X-ray data. Localization of
chromium atoms and electron deformation density
_cod_database_code 1000017
_database_code_amcsd 0015110
4.7606 4.7606 12.994 90 90 120 R-3c
atom      x y      z
Al        0 0 .35217
O    .69365 0    .25
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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
Note: T = 273 K
Locality: Synthetic
_database_code_amcsd 0018731
6.838 6.838 6.773 90 90 120 P3_1
atom      x       y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
La   .59784  .00000      0  .37 .00249 .00178 .00250 .00092  .00000  .00000
B      .111    .001   .000  .47 .00285 .00285 .00327 .00142 -.00062 -.00124
Si    .5825   .0000   .499  .40 .00228 .00356 .00223 .00164  .00000  .00000
O1     .343    .191   .027  .58 .00285 .00213 .00436 .00000  .00124 -.00124
O2     .191    .343   .307  .54 .00213 .00285 .00381 .00000  .00124 -.00124
O3     .603    .466   .330  .69 .00285 .00712 .00327 .00213 -.00062 -.00062
O4     .466    .603   .002  .69 .00712 .00285 .00327 .00213  .00000  .00062
O5     .000    .037   .833 1.87 .02281 .00784 .01090 .01140 -.01246 -.00623
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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
Note: T = 473 K
Locality: Synthetic
_database_code_amcsd 0018732
6.827 6.827 6.779 90 90 120 P3_121
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La   .5988     0 .3333  .009   .009   .007   .010   .003   .000   .000
Si   .5826     0 .8333  .008   .008   .009   .009   .005   .000  -.001
B     .109     0 .3333  .009   .009   .010   .009   .005  -.001  -.001
O1   .8497 .6564 .0282  .011   .013   .008   .017   .008  -.007  -.002
O2   .8654 .3961 .3292  .018   .021   .012   .012   .000   .000   .002
O3    .037     0 .8333  .031   .022   .061   .024   .031   .015   .031
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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