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Chrysoberyl |
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Farrell E F, Fang J H, Newnham R E |
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American Mineralogist 48 (1963) 804-810 |
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Refinement of the chrysoberyl structure |
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9.404 5.476 4.427 90 90 90 Pnma |
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atom x y z Biso |
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Al1 0 0 0 .073 |
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Al2 .27319 .25 -.00595 .103 |
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Be .09294 .25 .43347 .151 |
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O1 .09051 .25 .79016 .061 |
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O2 .43343 .25 .24097 .226 |
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O3 .16318 .01718 .25850 .140 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 1 bar |
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4.428 9.415 5.481 90 90 90 Pbnm |
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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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Al1 0 0 0 .55 .0070 .0016 .0043 .0002 .0006 .0000 |
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Al2 .9942 .2729 .25 .37 .0047 .0010 .0031 .0012 0 0 |
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Be .4328 .0930 .25 .8 .0099 .0026 .0055 .0003 0 0 |
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O1 .7899 .0905 .25 .58 .0093 .0011 .0053 .0001 0 0 |
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O2 .2419 .4330 .25 .64 .0092 .0015 .0055 -.0008 0 0 |
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O3 .2569 .1628 .0154 .49 .0056 .0018 .0032 .0006 .0009 .0000 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 1.4 GPa |
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4.421 9.399 5.471 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .97 |
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Al2 .9939 .2733 .25 .73 |
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Be .4295 .0888 .25 .6 |
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O1 .7904 .0894 .25 .88 |
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O2 .2421 .4353 .25 1.16 |
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O3 .2524 .1617 .0162 1.08 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 3.15 GPa |
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4.413 9.373 5.458 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .78 |
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Al2 .9947 .2732 .25 .72 |
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Be .4291 .0935 .25 .3 |
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O1 .7855 .0883 .25 .80 |
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O2 .2408 .4346 .25 .86 |
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O3 .2552 .1622 .0145 1.24 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 4.0 GPa |
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4.407 9.366 5.453 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .86 |
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Al2 .9953 .2729 .25 .59 |
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Be .4309 .0902 .25 .8 |
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O1 .7918 .0914 .25 .94 |
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O2 .2425 .4337 .25 .90 |
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O3 .2545 .1611 .0138 .98 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 5.4 GPa |
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4.400 9.343 5.442 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .75 |
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Al2 .9940 .2720 .25 .57 |
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Be .4332 .0895 .25 .7 |
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O1 .7924 .0934 .25 1.18 |
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O2 .2461 .4321 .25 1.72 |
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O3 .2538 .1629 .0147 .51 |
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Chrysoberyl |
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Hazen R M |
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Physics and Chemistry of Minerals 14 (1987) 13-20 |
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High-pressure crystal chemistry of chrysoberyl, Al2BeO4: |
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insights on the origin of olivine elastic anisotropy |
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Sample: P = 6.25 GPa |
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4.398 9.329 5.436 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .86 |
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Al2 .9937 .2731 .25 .66 |
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Be .4333 .0902 .25 .55 |
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O1 .7896 .0886 .25 .69 |
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O2 .2454 .4328 .25 .98 |
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O3 .2534 .1623 .0154 1.00 |
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Chrysoberyl |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 25 C |
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4.424 9.396 5.471 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .32 |
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Al2 .9949 .27306 .25 .20 |
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Be .4333 .0929 .25 .44 |
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O1 .7874 .0901 .25 .35 |
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O2 .2422 .4330 .25 .36 |
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O3 .2568 .1631 .0154 .38 |
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Chrysoberyl |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 270 C |
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4.4275 9.4063 5.477 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .46 |
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Al2 .9950 .27323 .25 .33 |
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Be .4340 .0925 .25 .61 |
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O1 .7880 .0900 .25 .46 |
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O2 .2423 .4334 .25 .49 |
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O3 .2570 .1632 .0154 .52 |
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Chrysoberyl |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 490 C |
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4.438 9.429 5.492 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .54 |
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Al2 .9950 .27332 .25 .43 |
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Be .4353 .0929 .25 .84 |
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O1 .7883 .0904 .25 .57 |
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O2 .2424 .4330 .25 .59 |
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O3 .2576 .1628 .0156 .61 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Chrysoberyl |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 690 C |
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4.4457 9.4491 5.5011 90 90 90 Pbnm |
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atom x y z Biso |
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Al1 0 0 0 .77 |
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Al2 .9952 .27367 .25 .66 |
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Be .4357 .0930 .25 1.03 |
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O1 .7885 .0903 .25 .75 |
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O2 .2429 .4328 .25 .83 |
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O3 .2579 .1627 .0154 .86 |
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Chrysoberyl |
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Weber S U, Grodzicki M, Lottermoser W, Redhammer G J, Tippelt G, Ponahlo J, Amthauer G |
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Physics and Chemistry of Minerals 34 (2007) 507-515 |
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57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and |
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electronic structure calculations on natural alexandrite |
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Locality: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia |
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Note: changed O1(z) from .788822 to .78822 |
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9.4082 5.4790 4.4288 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 0 0 .00349 .00388 .00286 .00346 -.00037 .00006 0 |
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Al2 .27282 .25 -.00503 .98 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Cr2 .27282 .25 -.00503 .02 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Be .09289 .25 .4336 .00530 .0063 .0054 .0042 0 .0000 0 |
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O1 .09022 .25 .78822 .00332 .00397 .00339 .00260 0 -.00010 0 |
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O2 .43316 .25 .24167 .00370 .00366 .00387 .00365 0 -.00041 0 |
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O3 .16324 .01554 .25728 .00401 .00425 .00392 .00387 .00030 -.00029 .00031 |
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