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Tridymite |
 |
Dollase W A, Baur W H |
 |
American Mineralogist 61 (1976) 971-978 |
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The superstructure of meteoritic low tridymite solved by computer simulation |
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Locality: Steinbach meteorite, Saxony, Germany |
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_database_code_amcsd 0000531 |
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18.524 5.0032 23.810 90 105.82 90 Cc |
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atom x y z Biso |
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Si1 .5507 .541 .5642 .9 |
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Si2 .7036 .947 .7374 1.2 |
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Si3 .4198 .549 .6225 .7 |
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Si4 .5751 .043 .7955 1.1 |
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Si5 .9247 .548 .6971 .8 |
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Si6 .7643 .944 .5386 .9 |
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Si7 .8023 .449 .7661 .8 |
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Si8 .6453 .041 .6027 .7 |
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Si9 .8531 .463 .9016 1.0 |
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Si10 .9493 .966 .9358 1.0 |
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Si11 .7244 .559 .9605 .9 |
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Si12 .5697 .549 .8702 1.1 |
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O1 .5749 .351 .8182 1.2 |
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O2 .5707 .840 .8476 1.5 |
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O3 .7315 .138 .4851 1.8 |
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O4 .7509 .644 .5152 1.7 |
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O5 .4155 .352 .6741 2.9 |
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O6 .4127 .852 .6434 1.9 |
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O7 .8773 .164 .9213 1.8 |
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O8 .9160 .668 .9361 2.4 |
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O9 .7741 .145 .7538 1.8 |
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O10 .7336 .643 .7402 2.2 |
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O11 .6195 .341 .5847 1.2 |
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O12 .5811 .843 .5661 1.9 |
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O13 .4966 .511 .6062 2.7 |
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O14 .3533 .489 .5665 1.0 |
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O15 .6498 .005 .6711 1.8 |
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O16 .6524 .996 .7805 2.0 |
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O17 .8636 .499 .7328 1.8 |
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O18 .8361 .503 .8333 2.6 |
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O19 .5052 .993 .7398 1.8 |
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O20 .6369 .511 .9268 2.9 |
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O21 .9927 .992 .8868 1.4 |
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O22 .5 .468 .5 2.2 |
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O23 .7252 .991 .5898 2.3 |
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O24 .7744 .521 .9155 1.5 |
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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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Tridymite |
 |
Graetsch H, Topalovic-Dierdorf I |
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European Journal of Mineralogy 8 (1996) 103-113 |
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29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) |
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Sample: superstructure |
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Locality: synthetic |
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_database_code_amcsd 0006615 |
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15.021 8.6004 16.4338 90. 91.512 90. C1 |
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atom x y z Uiso |
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Si1(1) .1924 .1187 .1641 .0238 |
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Si1(2) .5320 .1363 .1832 .0304 |
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Si1(3) .8524 .1411 .1504 .0202 |
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Si1(4) .1847 .7907 .0857 .0303 |
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Si1(5) .0286 .3092 .1122 .0331 |
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Si1(6) .3619 .2885 .1138 .0288 |
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Si2(1) .1940 .1694 .3521 .0212 |
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Si2(2) .2015 .8512 .4348 .0211 |
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Si2(3) .5331 .1831 .3709 .0172 |
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Si2(4) .0214 .3365 .4082 .0291 |
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Si2(5) .8522 .1912 .3386 .0204 |
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Si2(6) .3577 .3576 .4061 .0275 |
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Si3(1) .2022 .8006 .6219 .0269 |
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Si3(2) .0220 .2880 .5947 .0186 |
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Si3(3) .3591 .3075 .5935 .0246 |
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Si3(4) .1938 .1442 .6677 .0300 |
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Si3(5) .5236 .1254 .6499 .0294 |
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Si3(6) .8675 .1241 .6813 .0195 |
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Si4(1) .1919 .1956 .8540 .0325 |
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Si4(2) .1871 .8421 .8980 .0268 |
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Si4(3) .5205 .1762 .8381 .0270 |
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Si4(4) .0296 .3634 .9242 .0298 |
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Si4(5) .8679 .1759 .8688 .0289 |
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Si4(6) .3630 .3388 .9267 .0229 |
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O1(1) .2623 .2456 .1314 .0341 |
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O1(2) .5953 .2342 .1262 .0366 |
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O1(3) .9286 .2544 .1167 .0348 |
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O1(4) .2167 .9518 .1298 .0343 |
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O1(5) .2639 .6685 .0969 .0268 |
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O1(6) .0486 .4543 .1712 .0317 |
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O1(7) .0972 .1693 .1358 .0489 |
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O1(8) .3832 .4627 .1450 .0357 |
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O1(9) .4313 .1773 .1596 .0323 |
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O1/2(1) .1979 .1028 .2610 .0476 |
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O1/2(2) .5547 .1832 .2750 .0261 |
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O1/2(3) .8338 .1846 .2433 .0354 |
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O2(1) .2185 .0313 .4143 .0339 |
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O2(2) .2642 .3058 .3687 .0478 |
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O2(3) .2605 .7463 .3806 .0361 |
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O2(4) .5488 .0148 .4095 .0443 |
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O2(5) .5993 .3021 .4188 .0203 |
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O2(6) .0957 .2389 .3642 .0339 |
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O2(7) .8835 .0242 .3715 .0274 |
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O2(8) .9299 .3177 .3611 .0357 |
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O2(9) .4317 .2329 .3829 .0339 |
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O2/3(1) .2283 .8229 .5289 .0270 |
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O2/3(2) .0124 .2738 .4999 .0364 |
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O2/3(3) .3465 .3756 .5020 .0509 |
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O3(1) .2166 .9603 .6719 .0351 |
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O3(2) .2652 .6728 .6608 .0323 |
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O3(3) .0520 .4566 .6221 .0323 |
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O3(4) .0976 .1703 .6208 .0530 |
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O3(5) .3833 .4466 .6532 .0394 |
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O3(6) .4336 .1779 .6001 .0389 |
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O3(7) .2660 .2413 .6136 .0402 |
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O3(8) .5992 .2519 .6282 .0257 |
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O3(9) .9283 .2457 .6348 .0300 |
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O3/4(1) .1922 .2105 .7591 .0432 |
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O3/4(2) .5043 .1271 .7462 .0387 |
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O3/4(3) .8874 .1302 .7782 .0307 |
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O4(1) .2178 .0194 .8823 .0386 |
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O4(2) .2614 .3102 .8989 .0359 |
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O4(3) .2661 .7311 .8732 .0293 |
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O4(4) .5503 .0323 .8920 .0439 |
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O4(5) .5997 .3032 .8437 .0208 |
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O4(6) .0962 .2381 .8828 .0349 |
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O4(7) .8821 .0248 .9247 .0322 |
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O4(8) .9278 .3148 .9024 .0276 |
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O4(9) .4298 .2452 .8700 .0283 |
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O4/1(1) .1620 .8245 -.0098 .0363 |
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O4/1(2) .0447 .3655 .0195 .0343 |
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O4/1(3) .3777 .2816 .0170 .0499 |
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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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Tridymite |
 |
Graetsch H, Topalovic-Dierdorf I |
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European Journal of Mineralogy 8 (1996) 103-113 |
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29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) |
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Sample: average crystal structure |
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Locality: synthetic |
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_database_code_amcsd 0006616 |
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5.007 8.6004 8.2169 90 91.512 90 Cc |
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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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Si1 .0764 .3073 .2108 .052 .043 .033 .080 .004 .031 .006 |
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Si2 .0773 .3592 .8352 .052 .042 .034 .082 .004 .031 .008 |
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O1 .2885 .7530 .2534 .044 .039 .047 .046 .010 .001 -.003 |
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O2 .1440 .4647 .3082 .085 .048 .030 .176 -.014 -.017 .009 |
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O3 .2884 .1797 .2703 .138 .032 .032 .350 .008 -.002 .008 |
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O4 .5826 .1668 .5198 .188 .266 .216 .090 -.023 .132 -.014 |
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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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Tridymite |
 |
Graetsch H |
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Physics and Chemistry of Minerals 28 (2001) 313-321 |
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X-ray powder diffraction study on the modulated high temperature forms |
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of SiO2 tridymite between 110 and 220 C |
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Sample: T = 150 C |
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Locality: synthetic |
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_database_code_amcsd 0008552 |
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8.7560 5.0108 8.2153 90 90.2825 90 *C2_1 |
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0 .25 0 |
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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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Si1 .1759 .5489 .684500 .0615 .037 .082 .065 -.013 .009 -.004 |
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Si2 .1572 .4465 .3098 .0476 .055 .036 .052 -.003 .008 -.009 |
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O1 .3350 -.0063 -.0031 .0959 .131 .131 .026 -.043 .006 .010 |
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O2 -.0130 .4255 .2537 .1009 .025 .150 .128 -.034 -.040 -.056 |
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O3 .2576 .3216 .7755 .1165 .177 .120 .054 .116 -.063 -.050 |
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O4 .2419 .6738 .2147 .1148 .138 .071 .135 -.023 .007 .039 |
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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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Tridymite |
 |
Graetsch H |
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Physics and Chemistry of Minerals 28 (2001) 313-321 |
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X-ray powder diffraction study on the modulated high temperature forms |
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of SiO2 tridymite between 110 and 220 C |
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Sample: superstructure, T = 115 C |
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Locality: synthetic |
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_database_code_amcsd 0008553 |
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26.1753 4.98437 8.2006 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
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Si1 .1389 .511 .6949 .0373 |
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Si2 .1400 .391 .3292 .0373 |
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Si3 .1944 .888 .1993 .0373 |
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Si4 .1948 .019 .8302 .0373 |
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Si5 .0287 .395 .1867 .0373 |
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Si6 .0283 .510 .8158 .0373 |
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O1 .1966 -.043 .0153 .0602 |
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O2 .1491 .457 .5103 .0602 |
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O3 .0823 .429 .2778 .0602 |
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O4 .0814 .568 .7299 .0602 |
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O5 .2502 .080 .7704 .0602 |
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O6 .1571 .260 .8002 .0602 |
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O7 .1757 .583 .2262 .0602 |
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O8 .1570 .087 .2902 .0602 |
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O9 .1729 .766 .7330 .0602 |
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O10 .4634 .541 .5021 .0602 |
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O11 .4906 .905 .7234 .0602 |
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O12 .4960 .726 .2124 .0602 |
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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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Tridymite |
 |
Dollase W A |
 |
Acta Crystallographica 23 (1967) 617-623 |
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The crystal structure at 220 C of orthothombic high tridymite |
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from the Steinbach meteorite |
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Note: T = 220 C |
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Locality: Steinbach meteorite |
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_database_code_amcsd 0020733 |
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8.74 5.04 8.24 90 90 90 *C222_1 |
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0 0 .25 |
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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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Si .16846 .53589 .43857 .0119 .0260 .0119 .0012 -.0001 -.0013 |
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O1 .3336 0 .75 .040 .080 .017 0 0 .009 |
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O2 0 .5597 .5 .012 .136 .030 0 .002 0 |
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O3 .2547 .3029 .5213 .041 .054 .025 .024 -.006 .008 |
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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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Tridymite |
 |
Kato V K, Nukui A |
 |
Acta Crystallographica B32 (1976) 2486-2491 |
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Die kristallstruktur des monoklinen tief-tridymits |
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Locality: synthetic |
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_database_code_amcsd 0020734 |
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18.494 4.991 25.832 90 117.75 90 Cc |
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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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Si1 .0200 .1896 .0380 .00086 .0072 .00041 -.0003 .00039 .0005 |
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Si2 .2067 .2899 .09691 .00086 .0100 .00031 -.0000 .00026 -.0001 |
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Si3 .0349 .7046 .20212 .00077 .0087 .00027 -.0004 .00018 .0001 |
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Si4 .2228 .8046 .26187 .00085 .0069 .00033 .0003 .00023 .0002 |
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Si5 .0538 .1992 .37631 .00067 .0083 .00036 -.0002 .00023 -.0001 |
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Si6 .2427 .2059 .43476 .00062 .0089 .00038 .0002 .00033 .0009 |
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Si7 .2680 .7848 .06278 .00081 .0077 .00035 .0006 .00033 -.0007 |
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Si8 .4551 .7040 .12843 .00066 .0096 .00037 .0006 .00021 .0005 |
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Si9 .2929 .3006 .23294 .00044 .0098 .00034 .0004 .00007 .0001 |
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SilO .4837 .1994 .30132 .00068 .0077 .00034 .0002 .00018 .0003 |
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Si11 .2991 .7130 .39594 .00060 .0080 .00029 -.0002 .00020 .0005 |
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Si12 .4834 .8083 .46057 .00077 .0083 .00036 .0001 .00029 -.0006 |
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O1 .0036 -.1065 .0141 .0026 .0101 .00038 -.0005 .00039 -.0006 |
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O2 -.0064 .3929 -.0158 .0025 .0058 .00098 .0000 .00106 .0001 |
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O3 -.0312 .2519 .0726 .0015 .0461 .00050 .0006 .00066 .0013 |
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O4 -.0218 -.0943 .1513 .0014 .0058 .00099 -.0006 .00034 .0008 |
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O5 .0125 .4046 .1800 .0022 .0183 .00054 -.0005 .00014 -.0001 |
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O6 .0236 .7498 .2595 .0024 .0348 .00069 -.0024 .00090 -.0013 |
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O7 .0253 -.0951 .3556 .0025 .0104 .00059 -.0019 .00060 -.0017 |
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O8 -.0006 .4027 .3247 .0015 .0051 .00095 -.0005 .00005 -.0002 |
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O9 .0451 .2577 .4349 .0009 .0154 .00062 -.0006 .00046 -.0014 |
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O10 .1166 .2323 .0839 .0007 .0170 .00073 -.0001 .00021 .0011 |
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O11 .1294 .7554 .2197 .0009 .1025 .00038 -.0023 .00014 .0003 |
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O12 .1482 .2280 .3921 .0005 .1006 .00047 .0008 .00017 .0008 |
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O13 .2352 .0852 .0619 .0020 .0098 .00063 .0019 .00064 .0002 |
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O14 .2122 .5870 .0771 .0014 .0120 .00076 .0006 .00066 .0011 |
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O15 .2664 .2491 .1667 .0014 .0020 .00042 -.0003 .00020 -.0000 |
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O16 .2476 .1022 .2568 .0030 .0114 .00105 -.0021 .00136 -.0010 |
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O17 .2740 .5975 .2431 .0018 .0095 .00169 .0002 .00128 .0000 |
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O18 .2429 .7501 .3288 .0018 .1530 .00031 .0015 .00038 .0043 |
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O19 .2722 -.0832 .4328 .0022 .0099 .00096 .0008 .00089 .0005 |
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O20 .2914 .4135 .4140 .0015 .0054 .00062 -.0009 .00066 .0000 |
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O21 .2629 .2727 .5008 .0014 .0154 .00031 -.0019 .00046 -.0002 |
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O22 .3631 .7564 .1119 .0006 .0107 .00052 .0008 .00029 .0004 |
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O23 .3887 .2521 .2691 .0004 .0320 .00106 .0012 -.00013 -.0011 |
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O24 .3922 .7632 .4092 .0008 .0533 .00074 -.0027 .00043 .0001 |
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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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Tridymite |
 |
Konnert J H, Appleman D E |
 |
Acta Crystallographica B34 (1978) 391-403 |
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The crystal structure of low tridymite |
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Locality: Plumas County, California, USA |
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_database_code_amcsd 0009625 |
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9.932 17.216 81.864 90.0 90.0 90.0 F1 |
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atom x y z Biso |
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Si11 .06049 .03633 .03414 .61 |
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Si12 .56126 .03679 .03371 .61 |
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Si13 -.02022 .19793 .01846 .61 |
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Si14 .23025 .28978 .02831 .61 |
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Si15 .48204 .19712 .01779 .61 |
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Si16 .72606 .29128 .02822 .61 |
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Si17 .31136 .46063 .01895 .61 |
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Si18 .81084 .46158 .01933 .61 |
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Si21 .01300 .05235 .07211 .61 |
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Si22 .48576 .03038 .07135 .61 |
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Si23 -.01645 .22688 .07960 .61 |
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Si24 .23070 .31107 .06598 .61 |
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Si25 .46080 .20317 .07936 .61 |
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Si26 .71072 .28419 .06591 .61 |
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Si27 .25859 .46761 .08318 .61 |
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Si28 .73949 .44146 .08340 .61 |
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Si31 .05429 .04645 .12921 .61 |
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Si32 .55652 .04513 .12951 .61 |
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Si33 -.02557 .21178 .11701 .61 |
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Si34 .22884 .28380 .13270 .61 |
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Si35 .48158 .21099 .11717 .61 |
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Si36 .72795 .28732 .13375 .61 |
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Si37 .30672 .45008 .12047 .61 |
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Si38 .80469 .45095 .12077 .61 |
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Si41 -.00806 .05747 .16665 .61 |
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Si42 .51258 .03123 .16666 .61 |
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Si43 -.03431 .21530 .18369 .61 |
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Si44 .24039 .27072 .17021 .61 |
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Si45 .48592 .18696 .18403 .61 |
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Si46 .71198 .29733 .17140 .61 |
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Si47 .26630 .44539 .17770 .61 |
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Si48 .73858 .47061 .17894 .61 |
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Si51 .04792 .03540 .23125 .61 |
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Si52 .54997 .03394 .23180 .61 |
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Si53 -.03233 .20609 .22157 .61 |
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Si54 .22078 .30081 .23164 .61 |
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Si55 .46402 .20260 .22158 .61 |
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Si56 .71696 .29734 .23155 .61 |
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Si57 .29700 .46113 .21579 .61 |
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Si58 .79829 .45915 .21663 .61 |
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Si61 -.00500 .03156 .26833 .61 |
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Si62 .49360 .02861 .26878 .61 |
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Si63 -.07624 .20251 .27784 .61 |
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Si64 .17311 .29695 .26892 .61 |
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Si65 .42106 .20037 .27810 .61 |
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Si66 .67164 .29420 .26879 .61 |
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Si67 .24310 .45700 .28464 .61 |
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Si68 .74099 .45386 .28401 .61 |
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Si71 -.01127 .05741 .33366 .61 |
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Si72 .51099 .03461 .33274 .61 |
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Si73 -.03549 .21523 .31602 .61 |
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Si74 .23592 .27164 .33012 .61 |
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Si75 .48141 .19216 .31597 .61 |
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Si76 .71254 .29525 .32940 .61 |
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Si77 .26507 .44681 .32239 .61 |
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Si78 .73711 .46883 .32151 .61 |
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Si81 .05402 .04624 .37071 .61 |
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Si82 .55433 .04489 .37002 .61 |
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Si83 -.02367 .20997 .38348 .61 |
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Si84 .22606 .28414 .36728 .61 |
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Si85 .47769 .20929 .38290 .61 |
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Si86 .72917 .28317 .36679 .61 |
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Si87 .30406 .44985 .37919 .61 |
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Si88 .80457 .44962 .37903 .61 |
|
Si91 .01089 .04822 .42801 .61 |
|
Si92 .49177 .02779 .42869 .61 |
|
Si93 -.01648 .22402 .42095 .61 |
|
Si94 .23522 .30330 .43401 .61 |
|
Si95 .46602 .20096 .42080 .61 |
|
Si96 .71384 .28565 .43382 .61 |
|
Si97 .26175 .45878 .41648 .61 |
|
Si98 .74321 .44246 .41648 .61 |
|
Si101 .00089 .03822 .46580 .61 |
|
Si102 .50365 .03917 .46628 .61 |
|
Si103 -.06794 .19996 .48037 .61 |
|
Si104 .18252 .29559 .47201 .61 |
|
Si105 .43200 .20000 .48127 .61 |
|
Si106 .68040 .29548 .47172 .61 |
|
Si107 .25501 .46482 .48221 .61 |
|
Si108 .75445 .46519 .48184 .61 |
|
O121 .02331 .02880 .05321 |
|
O122 .53202 .03557 .05282 |
|
O123 .18855 .30450 .04704 |
|
O124 .68116 .30149 .04695 |
|
O231 -.06621 .22910 .09828 |
|
O232 .45120 .22872 .09819 |
|
O233 .28736 .43393 .10126 |
|
O234 .78692 .42769 .10194 |
|
O341 .03987 .06824 .14807 |
|
O342 .53585 .06510 .14851 |
|
O343 .19016 .26991 .15158 |
|
O344 .69419 .27038 .15271 |
|
O451 -.06233 .19435 .20250 |
|
O452 .43292 .18790 .20259 |
|
O453 .27472 .47082 .19647 |
|
O454 .79075 .46998 .19732 |
|
O561 .03607 .00890 .24997 |
|
O562 .54753 .00924 .25073 |
|
O563 .20233 .32513 .25050 |
|
O564 .69557 .32268 .25029 |
|
O671 -.06081 .19694 .29712 |
|
O672 .43250 .19703 .29745 |
|
O673 .28913 .46581 .30342 |
|
O674 .78507 .46136 .30288 |
|
O781 .03549 .07231 .35209 |
|
O782 .54098 .06541 .35093 |
|
O783 .18331 .26704 .34864 |
|
O784 .69788 .26518 .34786 |
|
O891 -.06560 .22485 .40227 |
|
O892 .44709 .22556 .40200 |
|
O893 .28665 .42878 .39814 |
|
O894 .79172 .43183 .39803 |
|
O1091 .02675 .02229 .44667 |
|
O1092 .53965 .02918 .44729 |
|
O1093 .19695 .30664 .45287 |
|
O1094 .68300 .30920 .45242 |
|
O1011 -.05068 .17436 .49912 |
|
O1012 .45126 .17230 .49990 |
|
O1013 .28663 .48885 .50083 |
|
O1014 .78581 .48869 .50049 |
|
O11 -.03453 -.02233 .02397 |
|
O12 .21504 .01065 .03152 |
|
O13 .46516 -.02383 .02440 |
|
O14 .71548 .00966 .03108 |
|
O15 .03828 .12458 .02849 |
|
O16 .54350 .12344 .02711 |
|
O17 -.15552 .22774 .02709 |
|
O18 .09752 .26258 .01843 |
|
O19 .34720 .22544 .02695 |
|
O110 .59632 .26374 .01782 |
|
O111 .28313 .36924 .02027 |
|
O112 .77913 .37097 .02058 |
|
O21 -.13521 .03536 .07910 |
|
O22 .12074 .00451 .08279 |
|
O23 .36614 -.03305 .07245 |
|
O24 .60971 .00404 .08268 |
|
O25 .04317 .14369 .07451 |
|
O26 .42613 .11183 .07778 |
|
O27 -.13907 .25131 .06786 |
|
O28 .10255 .29035 .07728 |
|
O29 .35300 .25204 .06899 |
|
O210 .60949 .21645 .07209 |
|
O211 .27766 .39862 .07004 |
|
O212 .68080 .36035 .07652 |
|
O31 -.03956 -.02582 .12417 |
|
O32 .20800 .02253 .12546 |
|
O33 .45876 -.02388 .12378 |
|
O34 .71016 .01902 .12657 |
|
O35 .01672 .12187 .11855 |
|
O36 .53102 .12274 .11909 |
|
O37 -.15153 .23020 .12863 |
|
O38 .09963 .26688 .12146 |
|
O39 .34668 .22426 .12767 |
|
O310 .59670 .27066 .12288 |
|
O311 .27857 .37158 .13039 |
|
O312 .77435 .37635 .13196 |
|
O41 -.12477 -.00657 .16729 |
|
O42 .11944 .03418 .17769 |
|
O43 .36308 -.00436 .16748 |
|
O44 .61930 -.03701 .17025 |
|
O45 -.06677 .13958 .17288 |
|
O46 .53602 .10036 .17960 |
|
O47 -.13692 .28276 .17792 |
|
O48 .11713 .24625 .18189 |
|
O49 .36134 .20851 .17220 |
|
O410 .60790 .24769 .18233 |
|
O411 .29727 .35425 .17561 |
|
O412 .67902 .38824 .17331 |
|
O51 -.04879 -.01691 .21988 |
|
O52 .20109 .02038 .22560 |
|
O53 .45224 -.02256 .22162 |
|
O54 .70138 .02185 .22520 |
|
O55 .01610 .12601 .22966 |
|
O56 .50938 .12330 .23024 |
|
O57 -.16976 .23072 .23071 |
|
O58 .07875 .27201 .22448 |
|
O59 .32898 .23136 .23066 |
|
O510 .57759 .26756 .22387 |
|
O511 .26947 .37294 .22080 |
|
O512 .76357 .37077 .22090 |
|
O61 -.13495 -.01919 .27293 |
|
O62 .11728 .01166 .28050 |
|
O63 .36767 -.02723 .27257 |
|
O64 .61405 .01162 .28149 |
|
O65 -.04016 .12214 .26904 |
|
O66 .44879 .11770 .26981 |
|
O67 -.23071 .22311 .27351 |
|
O68 .01841 .26978 .27030 |
|
O69 .26732 .22413 .27369 |
|
O610 .51778 .26532 .27027 |
|
O611 .20067 .36812 .28124 |
|
O612 .69288 .36573 .28107 |
|
O71 -.13170 -.00455 .33348 |
|
O72 .11483 .03043 .32267 |
|
O73 .36017 .00074 .33242 |
|
O74 .61297 -.03472 .32792 |
|
O75 -.06702 .13839 .32644 |
|
O76 .53016 .10446 .31991 |
|
O77 -.13852 .28144 .32215 |
|
O78 .11564 .24608 .31821 |
|
O79 .35817 .21043 .32810 |
|
O710 .60566 .25037 .31821 |
|
O711 .29305 .35586 .32543 |
|
O712 .68387 .38747 .32871 |
|
O81 -.04270 -.02487 .37553 |
|
O82 .20763 .01843 .37297 |
|
O83 .45804 -.02593 .37506 |
|
O84 .70792 .01982 .37353 |
|
O85 .02510 .12080 .38207 |
|
O86 .52151 .12008 .38091 |
|
O87 -.15424 .22357 .37223 |
|
O88 .09630 .26815 .37864 |
|
O89 .34475 .22541 .37221 |
|
O810 .59553 .26715 .37730 |
|
O811 .27131 .37337 .36860 |
|
O812 .77472 .37183 .36876 |
|
O91 -.13518 .02894 .42062 |
|
O92 .12484 .00585 .41725 |
|
O93 .37026 -.03506 .42775 |
|
O94 .61250 -.00547 .41758 |
|
O95 .03729 .14034 .42652 |
|
O96 .43439 .10910 .42224 |
|
O97 -.13450 .25449 .43264 |
|
O98 .10837 .28407 .42256 |
|
O99 .35841 .24435 .43203 |
|
O910 .61450 .21651 .42794 |
|
O911 .28704 .38952 .42918 |
|
O912 .68536 .35960 .42246 |
|
O101 -.11012 -.02326 .47172 |
|
O102 .13973 .02249 .47529 |
|
O103 .38978 -.02228 .47128 |
|
O104 .64061 .02355 .47609 |
|
O105 -.04298 .12673 .46855 |
|
O106 .45817 .12756 .46933 |
|
O107 -.22182 .22704 .47767 |
|
O108 .02843 .27144 .47573 |
|
O109 .27839 .22882 .47931 |
|
O1010 .52864 .27213 .47694 |
|
O1011 .20922 .37595 .48142 |
|
O1012 .71419 .37524 .48105 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Lee S, Xu H |
|
Acta Crystallographica B75 (2019) https://doi.org/10.1107/S2052520619000933 |
|
Using powder XRD and pair distribution function to determine anisotropic |
|
atomic displacement parameters of orthorhombic tridymite and |
|
tetragonal cristobalite |
|
Locality: rhyolitic rock, New Mexico, USA |
|
_database_code_amcsd 0020744 |
|
8.7549 5.0335 8.2118 90 90 90 C222_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .1672 .5459 .1877 .0293 .033 .031 .024 .003 .004 .007 |
|
O1 .3315 0 .5 .0390 .049 .043 .025 0 0 .003 |
|
O2 0 .5587 .25 .0277 .022 .026 .035 0 .006 0 |
|
O3 .2522 .3139 .2729 .0187 .019 .015 .022 .002 -.006 .001 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 443 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020931 |
|
8.730 5.000 8.201 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1685 .5512 .4380 .0076 .0358 .0109 .0008 .0013 -.0021 |
|
O1 .3272 0 .75 .0248 .1046 .0111 .0083 |
|
O2 0 .5774 .5 .0084 .1338 .0328 -.0054 |
|
O3 .2503 .3182 .5301 .0345 .0847 .0256 .0273 .0007 .0057 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 493 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020932 |
|
8.756 5.024 8.213 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1681 .5470 .4379 .0095 .0347 .0106 .0010 .0004 -.0025 |
|
O1 .3315 0 .75 .0287 .0931 .0112 .0070 |
|
O2 0 .5714 .5 .0107 .1390 .0356 -.0004 |
|
O3 .2535 .3176 .5292 .0366 .0630 .0262 .0254 -.0045 .0091 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 573 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020933 |
|
8.764 5.039 8.235 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1682 .5352 .4380 .0111 .0301 .0109 .0013 .0003 -.0012 |
|
O1 .3273 0 .75 .0297 .0964 .0117 .0079 |
|
O2 0 .5572 .5 .0116 .1496 .0356 -.0004 |
|
O3 .2533 .3030 .5216 .0364 .0591 .0312 .0208 -.0041 .0102 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 653 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020934 |
|
8.743 5.046 8.254 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1686 .5222 .4382 .0118 .0327 .0114 .0016 .0004 -.0016 |
|
O1 .3268 0 .75 .0317 .0987 .0112 .0089 |
|
O2 0 .5401 .5 .0133 .1452 .0387 -.0033 |
|
O3 .2554 .2853 .5130 .0380 .0667 .0359 .0232 -.0023 .0139 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 693 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020935 |
|
8.742 5.047 8.262 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1673 .5099 .4378 .0121 .0341 .0118 -.0003 -.0006 -.0018 |
|
O1 .3275 0 .75 .344 .1023 .0131 .0068 |
|
O2 0 .5252 .5 .0127 .1699 .0365 .0082 |
|
O3 .2487 .2655 .5049 .0400 .0762 .0385 .0263 -.0069 .0132 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: Dollase's model, T = 733 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020936 |
|
8.74 5.04 8.24 90 90 90 *C222_1 |
|
0 0 .25 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .1668 .4914 .4377 .0114 .0335 .0116 -.0036 0 -.0011 |
|
O1 .3328 0 .75 .0352 .1057 .0123 -.0048 |
|
O2 0 .5163 .5 .0138 .1403 .0395 .0104 |
|
O3 .2548 .2530 .4956 .0357 .0649 .0400 .0228 -.0051 .0173 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: hexagonal Gibbs model, T = 693 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020937 |
|
5.047 5.047 8.262 90 90 120 P6_3/mmc |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 1/3 2/3 .4379 .0473 .0473 .0116 .0237 0 0 |
|
O1 1/3 2/3 .25 .1433 .1433 .0118 .0717 0 0 |
|
O2 0 .5 0 .0577 .1453 .0411 .0289 -.0267 -.0134 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Kihara K, Matsumoto T, Imamura M |
|
Zeitschrift fur Kristallographie 177 (1986) 27-38 |
|
Structural change of orthorhombic-I tridymite with temperature: |
|
A study based on second-order thermal-vibrational parameters |
|
Note: hexagonal Gibbs model, T = 733 K |
|
Locality: synthetic refractory silica brick |
|
_database_code_amcsd 0020938 |
|
5.052 5.052 8.27 90 90 120 P6_3/mmc |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si 1/3 2/3 .4378 .0472 .0472 .0116 .0236 0 0 |
|
O1 1/3 2/3 .25 .1376 .1376 .0124 .0688 0 0 |
|
O2 0 .5 0 .0576 .1487 .0404 .0289 -.0252 -.0126 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Tridymite |
 |
Hirose T, Kihara K, Okuno M, Fujinami S, Shinoda K |
 |
Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69 |
|
X-ray, DTA and Raman studies of monoclinic tridymite and its higher |
|
temperature orthorhombic modification with varying temperature. |
|
Locality: synthetic |
|
Note: T = 298 K |
|
_database_code_amcsd 0013132 |
|
25.878 5.001 18.526 90 117.69 90 Aa |
|
atom x y z |
|
Si1 -.0179 .6982 .0314 |
|
Si2 .0108 .1979 -.0393 |
|
Si3 .1468 .2112 .0469 |
|
Si4 .1812 .7129 -.0143 |
|
Si5 .3091 .7074 .0111 |
|
Si6 .3478 .2106 -.0452 |
|
Si7 .0416 .7963 .2188 |
|
Si8 .1158 .2972 .2989 |
|
Si9 .2057 .3101 .2338 |
|
Si10 .2832 .8090 .2703 |
|
Si11 .3676 .6995 .2003 |
|
Si12 .4425 .1995 .2704 |
|
O1 -.0839 .751 .0131 |
|
O2 -.0011 .896 -.0216 |
|
O3 -.0129 .394 .0074 |
|
O4 .0781 .249 -.0109 |
|
O5 .1808 .413 .0176 |
|
O6 .1663 -.089 .0419 |
|
O7 .2437 .778 -.0081 |
|
O8 .3115 .410 -.0182 |
|
O9 .3287 -.091 -.0383 |
|
O10 .0240 .745 .1258 |
|
O11 .1603 .269 .1380 |
|
O12 .3518 .738 .1071 |
|
O13 -.0150 .750 .2307 |
|
O14 .0638 .098 .2417 |
|
O15 .0934 .597 .2763 |
|
O16 .1721 .251 .2861 |
|
O17 .2297 .613 .2507 |
|
O18 .2595 .111 .2609 |
|
O19 .3095 .757 .2090 |
|
O20 .3879 .398 .2279 |
|
O21 .4190 .901 .2557 |
|
O22 .1318 .242 .3923 |
|
O23 .3336 .766 .3613 |
|
O24 .4755 .252 .3652 |
|
|
| 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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Tridymite |
 |
Hirose T, Kihara K, Okuno M, Fujinami S, Shinoda K |
 |
Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69 |
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X-ray, DTA and Raman studies of monoclinic tridymite and its higher |
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temperature orthorhombic modification with varying temperature. |
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Locality: synthetic |
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Note: T = 373 K |
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_database_code_amcsd 0013133 |
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25.919 5.004 18.540 90 117.72 90 Aa |
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atom x y z |
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Si1 -.0179 .7013 .0314 |
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Si2 .0112 .2006 -.0383 |
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Si3 .1469 .2121 .0459 |
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Si4 .1814 .7132 -.0151 |
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Si5 .3098 .7084 .0126 |
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Si6 .3481 .2114 -.0444 |
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Si7 .0420 .7942 .2193 |
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Si8 .1163 .2950 .2978 |
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Si9 .2061 .3077 .2329 |
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Si10 .2836 .8056 .2712 |
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Si11 .3687 .7012 .2016 |
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Si12 .4437 .2010 .2715 |
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O1 -.0838 .752 .0116 |
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O2 -.0008 .903 -.0199 |
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O3 -.0122 .398 .0072 |
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O4 .0783 .249 -.0105 |
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O5 .1800 .416 .0159 |
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O6 .1657 -.088 .0399 |
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O7 .2437 .774 -.0074 |
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O8 .3125 .413 -.0167 |
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O9 .3289 -.089 -.0365 |
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O10 .0231 .745 .1249 |
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O11 .1625 .267 .1378 |
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O12 .3527 .738 .1087 |
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O13 -.0133 .749 .2326 |
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O14 .0651 .095 .2423 |
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O15 .0939 .595 .2751 |
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O16 .1723 .249 .2853 |
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O17 .2304 .607 .2502 |
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O18 .2595 .107 .2606 |
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O19 .3114 .756 .2120 |
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O20 .3902 .403 .2299 |
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O21 .4197 .903 .2558 |
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O22 .1338 .244 .3914 |
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O23 .3339 .763 .3629 |
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O24 .4769 .250 .3658 |
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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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Tridymite |
 |
Hirose T, Kihara K, Okuno M, Fujinami S, Shinoda K |
 |
Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69 |
|
X-ray, DTA and Raman studies of monoclinic tridymite and its higher |
|
temperature orthorhombic modification with varying temperature. |
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Locality: synthetic |
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Note: T = 413 K |
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_database_code_amcsd 0013134 |
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26.163 4.987 8.199 90 90 90 P2_12_12_1 |
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atom x y z |
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Si1 .1390 .6112 .6786 |
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Si2 .1393 .4957 .3012 |
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Si3 .0278 .6180 .8118 |
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Si4 .0282 .5019 .1843 |
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Si5 .1946 .1131 .8013 |
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Si6 .1945 .9954 .1740 |
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O1 .1935 .058 .986 |
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O2 .1403 .565 .490 |
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O3 .0299 .568 .001 |
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O4 .0825 .563 .743 |
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O5 .0823 .428 .241 |
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O6 .2484 .914 .234 |
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O7 .1762 .412 .765 |
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O8 .1754 .253 .275 |
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O9 .1564 .910 .715 |
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O10 .1572 .754 .199 |
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O11 -.0107 .418 .727 |
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O12 -.0089 .251 .215 |
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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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