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Babefphite |
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Shashkin D N, Simonov M A, Belov N V |
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Doklady Akademii Nauk SSSR 176 (1967) 1392-1395 |
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Crystal structure of babepfite BaBePO4F = Ba(Be,P)2O4F |
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_database_code_amcsd 0012446 |
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6.93 16.740 6.93 90 90 90 Fdd2 |
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atom x y z occ Biso |
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Ba 0 0 0 .7 |
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P .004 .083 .505 .5 .7 |
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Be .004 .083 .505 .5 .7 |
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O1 .046 .155 .63 .5 .7 |
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O2 0 0 .598 .7 |
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O3 -.204 .095 .37 .5 .7 |
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O4 .167 .078 .34 .5 .7 |
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F .167 .078 .34 .5 .7 |
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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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Babefphite |
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Simonov M A, Egorov-Tismenko Y K, Belov N V |
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Soviet Physics Crystallography 25 (1980) 28-31 |
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Use of modern X-ray equipment to solve fine problems of structural |
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mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F |
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Locality: Aunik F-Be deposit, Transbaikalia, Eastern-Siberian Region, Russia |
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_database_code_amcsd 0019355 |
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6.889 16.814 6.902 90.01 89.99 90.32 F1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 0 0 0 .003055 .000840 .004356 -.000324 .000158 .000151 |
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Ba2 .25 .25 .25 .003530 .000681 .003779 -.000065 .000210 -.000280 |
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Be1 .264 .1703 .741 .005268 .000707 .005248 -.001295 .002629 .000862 |
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Be2 .514 .4184 .511 .005268 .000442 .001574 .000000 -.003155 .000215 |
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P1 .0099 .0828 .4895 .001633 .000354 .002204 -.000324 .000000 .000022 |
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P2 .2603 .3325 .7609 .001896 .000265 .001994 -.000022 .000105 -.000022 |
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O1 .1637 .0794 .3334 .004214 .000884 .004198 .000000 .001577 -.000215 |
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O2 .8981 .0026 .5002 .003161 .000354 .006822 -.000216 .000526 -.000431 |
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O3 .1467 .2521 .7498 .002634 .000354 .007872 .000000 .000000 .000215 |
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O4 .3499 .3488 .5601 .005268 .000707 .008397 -.001079 .001577 -.000431 |
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O5 .4127 .3291 .9167 .003688 .000884 .004198 .000000 -.001052 -.000215 |
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O6 .3599 .1483 .9479 .004741 .000619 .003674 .000000 -.001052 .000000 |
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O7 .1002 .0981 .6904 .004214 .000619 .003149 -.000432 -.001052 .000000 |
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O8 .1086 .3991 .8014 .005268 .000619 .003674 .000216 .001052 .000000 |
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F1 .4180 .1741 .5818 .004214 .001061 .004723 -.000432 .001052 .000000 |
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F2 .1682 .4235 .1685 .003688 .000884 .004723 -.000432 -.000526 -.000215 |
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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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