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Zircon |
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Kolesov B A, Geiger C A, Armbruster T |
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European Journal of Mineralogy 13 (2001) 939-948 |
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The dynamic properties of zircon studied by single-crystal X-ray |
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diffraction and Raman spectroscopy |
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_database_code_amcsd 0006906 |
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6.6039 6.6039 5.9783 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zr 0 3/4 1/8 .303 .00364 .00364 .00427 0 0 0 |
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Si 0 3/4 5/8 .319 .00402 .00402 .0041 0 0 0 |
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O 0 .06586 .19533 .518 .0093 .0045 .0058 0 0 -.0008 |
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Lawsonite |
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Kolesov B A, Lager G A, Schultz A J |
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European Journal of Mineralogy 20 (2008) 63-72 |
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Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and |
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Raman spectroscopic investigation |
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Sample: T = 295 K |
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_database_code_amcsd 0007253 |
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5.850 8.790 13.122 90 90 90 Cmcm |
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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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Ca 0 .3333 .25 .0093 .0095 .0091 .0093 0 0 0 |
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Al .25 .25 0 .0024 .0014 .0014 .0045 .0001 -.0010 .0003 |
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Si 0 .9807 .1328 .0028 .0031 .0014 .0041 0 0 -.0008 |
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O1 0 .0496 .25 .0063 .0104 .0048 .0037 0 0 0 |
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O2 .2727 .37853 .11698 .0058 .0049 .0057 .0067 -.0026 .0009 -.0023 |
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O3 0 .1371 .06485 .0040 .0049 .0020 .0052 0 0 .0018 |
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O4 0 .6382 .0477 .0064 .0055 .0037 .010 0 0 .0028 |
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O5 0 .6101 .25 .018 .033 .0126 .0091 0 0 0 |
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Hw 0 .6623 .1886 .062 .050 .068 .068 0 0 .053 |
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Hh 0 .5383 .0610 .063 .033 .027 .128 0 0 .034 |
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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
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