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Na3AsO3S.12H2O |
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Kempa P B, Wiebcke M, Felsche J |
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Acta Crystallographica C46 (1990) 729-732 |
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Structure of trisodium monothioarsenate dodecahydrate |
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Sample: T = 213 K |
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_database_code_amcsd 0010125 |
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9.220 12.831 13.906 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
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As .24841 .45298 .27059 .01022 |
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S .2671 .29250 .22779 .0181 |
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Na1 .2606 .2125 .6037 .0249 |
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Na2 .2480 .0081 .4771 .0224 |
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Na3 .2400 -.2226 .3909 .0200 |
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O1 .1958 .4604 .3867 .0189 |
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O2 .1245 .5142 .2010 .0167 |
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O3 .4102 .5153 .2587 .0147 |
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O4 .3902 .2752 .7480 .0238 |
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O5 .3542 .3731 .5320 .0208 |
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O6 .0534 .3133 .6455 .0227 |
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O7 .4460 .1143 .5293 .0242 |
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O8 .1648 .1786 .4299 .0270 |
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O9 .0875 .0726 .5990 .0237 |
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O10 .3506 -.0657 .3373 .0251 |
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O11 .3452 -.1499 .5476 .0244 |
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O12 .0486 -.1058 .4290 .0219 |
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O13 .1410 -.3635 .4832 .0249 |
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O14 .4536 -.3240 .3865 .0233 |
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O15 .1438 .0005 .2165 .051 |
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Na3HSiO4.H2O |
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Schmid R L, Felsche J |
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Acta Crystallographica C46 (1990) 1365-1368 |
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Structure of trisodium hydrogenorthosilicate monohydrate |
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_database_code_amcsd 0010162 |
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7.898 5.960 11.142 90 105.57 90 P2_1/c |
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atom x y z Biso |
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Si .6907 .2087 .3647 .61 |
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Na1 .25 .0102 .3342 1.24 |
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Na2 .3990 .3071 .5667 1.30 |
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Na3 .9772 -.2439 .4391 1.21 |
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O1 .4902 .2715 .3826 1.10 |
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O2 .7694 .0138 .4636 .89 |
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O3 .8098 .4343 .3914 .90 |
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O4 .6631 .1359 .2198 .97 |
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O5 .0739 .3471 .2789 1.48 |
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H11 .553 .887 .156 1.3 |
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H51 -.001 .398 .316 1.0 |
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H52 .143 .466 .285 .8 |
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Metaborite |
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Freyhardt C C, Wiebcke M, Felsche J |
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Acta Crystallographica C56 (2000) 276-278 |
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The monoclinic and cubic phases of metaboric acid (precise redeterminations) |
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Locality: synthetic |
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_database_code_amcsd 0018652 |
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8.8811 8.8811 8.8811 90 90 90 P-43n |
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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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B .71733 .80853 .58110 .00421 .00403 .00397 .00006 .00022 -.00001 |
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O1 .82221 .92596 .64509 .00374 .00327 .0058 .00029 -.00085 -.00098 |
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O2 .80015 .66772 .58016 .00556 .00352 .00355 .00102 .00044 .00027 |
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H .9275 .8920 .6707 .035 |
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Clinometaborite |
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Freyhardt C C, Wiebcke M, Felsche J |
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Acta Crystallographica C56 (2000) 276-278 |
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The monoclinic and cubic phases of metaboric acid (precise redeterminations) |
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Locality: synthetic |
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_database_code_amcsd 0018653 |
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6.758 8.844 7.075 90 93.50 90 P2_1/c |
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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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B1 .82973 -.04305 .23313 .00797 .00388 .01178 -.00004 .00394 -.00032 |
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B2 .97799 .21057 .26215 .00788 .0042 .01121 -.00041 .00275 -.00058 |
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B3 .67149 .16278 .40129 .00819 .00480 .01143 .00057 .00363 -.00048 |
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O1 .99486 .06010 .21706 .00789 .00376 .01320 -.00088 .00417 -.00123 |
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O2 .81676 .26220 .35432 .00953 .00489 .01783 -.00085 .00672 -.00219 |
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O3 .68233 .01329 .35631 .00987 .00441 .01469 -.00015 .00682 -.00105 |
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O4 .87806 -.19463 .28819 .00966 .00390 .01601 .00162 .00549 .00134 |
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O5 .72270 -.04719 .03131 .01026 .00778 .01184 -.00225 .00267 -.00057 |
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O6 .51804 .21638 .49931 .01098 .00598 .01801 .00125 .00834 -.00018 |
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H1 .638 -.1334 .006 .047 |
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H2 .822 -.0530 -.0703 .051 |
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H3 .4367 .1347 .5269 .039 |
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Diaoyudaoite |
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Felsche J |
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Zeitschrift fur Kristallographie 127 (1968) 94-100 |
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The alkali problem in the crystal structure of beta alumina |
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_database_code_amcsd 0010660 |
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5.5962 5.5962 22.526 90 90 120 P6_3/mmc |
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atom x y z Biso |
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Al1 .1665 .3331 .6060 .46 |
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Al2 1/3 2/3 .0248 .38 |
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Al3 1/3 2/3 .1753 .38 |
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Al4 0 0 0 .42 |
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Na 2/3 1/3 .25 1.86 |
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O1 .1624 .3249 .0496 .69 |
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O2 .5016 .0032 .1464 .39 |
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O3 1/3 2/3 .5540 .36 |
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O4 0 0 .1421 .43 |
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O5 1/3 2/3 .25 .96 |
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Diaoyudaoite |
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Felsche J |
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Naturwissenschaften 54 (1967) 612-613 |
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Zur kristallstruktur von beta-aluminiumoxid |
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Note: x,y coordinates of O3 altered to produce a more reasonable structure |
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Locality: synthetic |
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_database_code_amcsd 0014697 |
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5.5962 5.5962 22.526 90 90 120 P6_3/mmc |
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atom x y z |
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Na 2/3 1/3 .25 |
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Al1 1/6 1/3 .60601 |
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Al2 1/3 2/3 .0248 |
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Al3 1/3 2/3 .1758 |
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Al4 0 0 0 |
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O1 1/6 1/3 .0495 |
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O2 .5 0 .1463 |
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O3 1/3 2/3 .5540 |
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O4 0 0 .1421 |
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O5 1/3 2/3 .25 |
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