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Fluocerite-(La) |
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Cheetham A K, Fender B E F, Fuess H, Wright A F |
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Acta Crystallographica B32 (1976) 94-97 |
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A powder neutron diffraction study of lanthanum and cerium trifluorides |
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Locality: synthetic |
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Note: cell parameters taken from Zalkin et al. Inorg. Chem 5 (1966) 1466-1468 |
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_database_code_amcsd 0009547 |
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7.185 7.185 7.351 90 90 120 P-3c1 |
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atom x y z Biso |
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La .6609 0 .25 .24 |
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F1 .3667 .0540 .0824 .70 |
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F2 1/3 2/3 .1855 .70 |
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F3 0 0 .25 .70 |
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Fluocerite-(Ce) |
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Cheetham A K, Fender B E F, Fuess H, Wright A F |
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Acta Crystallographica B32 (1976) 94-97 |
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A powder neutron diffraction study of lanthanum and cerium trifluorides |
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Locality: synthetic |
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_database_code_amcsd 0009548 |
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7.131 7.131 7.286 90 90 120 P-3c1 |
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atom x y z Biso |
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Ce .6607 0 .25 .29 |
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F1 .3659 .0540 .0824 1.17 |
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F2 1/3 2/3 .1871 1.01 |
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F3 0 0 .25 1.60 |
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DUO2AsO4*4D2O |
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Fitch A N, Bernard L, Howe A T, Wright A F, Fender B E F |
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Acta Crystallographica C39 (1983) 159-162 |
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The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction |
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Locality: synthetic |
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_database_code_amcsd 0009970 |
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7.1615 7.1615 17.6390 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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D3 .4057 -.4057 .25 .030709 .030709 .008035 .008774 -.007520 -.007520 |
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U .25 .25 .0527 .003022 .003022 .000804 0 0 0 |
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O1 .25 .25 .1545 .009067 .009067 .001141 0 0 0 |
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O2 .25 .25 -.0482 .009944 .009944 .000964 0 0 0 |
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As .75 .25 0 .001706 .001706 .001366 0 0 0 |
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O3 .5681 .2048 .0573 .002730 .007214 .001663 -.000097 .000811 .000930 |
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D1 .3037 .0404 .3112 .75 .074580 .037046 .002169 .025835 .001781 .001781 |
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D2 .5757 .1283 .3556 .027785 .016573 .002411 .005849 -.000396 .000396 |
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O4 .1476 .9977 .3095 .026322 .047770 .002089 -.014136 .001583 .004552 |
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Uramphite |
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Fitch A N, Fender B E F |
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Acta Crystallographica C39 (1983) 162-166 |
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The structure of deuterated ammomium uranyl phosphate trihydrate, |
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ND4UO2PO4*3D2O by powder neutron diffraction |
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_database_code_amcsd 0009971 |
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7.0221 7.0221 18.0912 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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U .25 .25 .0479 .00354 .00354 .00191 0 0 0 |
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P .75 .25 0 .00050 .00050 .00213 0 0 0 |
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O1 .25 .25 .1470 .00709 .00709 .00191 0 0 0 |
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O2 .25 .25 -.0512 .01166 .01166 .00106 0 0 0 |
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O3 .5771 .2257 .0500 .00354 .00861 .00183 -.00101 -.00019 -.00059 |
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O4 .1611 .9809 .3149 .75 .02078 .01774 .00145 .00304 .00000 -.00137 |
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N .1611 .9809 .3149 .25 .02078 .01774 .00145 .00304 .00000 -.00137 |
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D1 .3212 .0403 .3191 .07098 .03295 .00313 -.00304 .00039 .01180 |
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D2 .5947 .1394 .3592 .01825 .01926 .00267 .00101 -.00177 -.00039 |
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D3 .3794 .5890 .2697 .5 .02585 .01571 .00061 .01115 .00157 -.00019 |
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| Download AMC data (View Text File)
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Fluorite |
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Cheetham A, Fender B, Cooper M |
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Journal of Physics C: Solid State Physics 4 (1971) 3107-3121 |
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Defect structure of calcium fluoride containing excess anions: I. Bragg |
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scattering |
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_cod_database_code 1000043 |
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_database_code_amcsd 0013161 |
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5.462 5.462 5.462 90 90 90 Fm3m |
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atom x y z |
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Ca 0 0 0 |
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F .25 .25 .25 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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