Graetsch H, Topalovic-Dierdorf I
European Journal of Mineralogy 8 (1996) 103-113
29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1)
Sample: superstructure
_database_code_amcsd 0006615
15.021 8.6004 16.4338 90. 91.512 90. C1
atom x y z Uiso
Si1(1) .1924 .1187 .1641 .0238
Si1(2) .5320 .1363 .1832 .0304
Si1(3) .8524 .1411 .1504 .0202
Si1(4) .1847 .7907 .0857 .0303
Si1(5) .0286 .3092 .1122 .0331
Si1(6) .3619 .2885 .1138 .0288
Si2(1) .1940 .1694 .3521 .0212
Si2(2) .2015 .8512 .4348 .0211
Si2(3) .5331 .1831 .3709 .0172
Si2(4) .0214 .3365 .4082 .0291
Si2(5) .8522 .1912 .3386 .0204
Si2(6) .3577 .3576 .4061 .0275
Si3(1) .2022 .8006 .6219 .0269
Si3(2) .0220 .2880 .5947 .0186
Si3(3) .3591 .3075 .5935 .0246
Si3(4) .1938 .1442 .6677 .0300
Si3(5) .5236 .1254 .6499 .0294
Si3(6) .8675 .1241 .6813 .0195
Si4(1) .1919 .1956 .8540 .0325
Si4(2) .1871 .8421 .8980 .0268
Si4(3) .5205 .1762 .8381 .0270
Si4(4) .0296 .3634 .9242 .0298
Si4(5) .8679 .1759 .8688 .0289
Si4(6) .3630 .3388 .9267 .0229
O1(1) .2623 .2456 .1314 .0341
O1(2) .5953 .2342 .1262 .0366
O1(3) .9286 .2544 .1167 .0348
O1(4) .2167 .9518 .1298 .0343
O1(5) .2639 .6685 .0969 .0268
O1(6) .0486 .4543 .1712 .0317
O1(7) .0972 .1693 .1358 .0489
O1(8) .3832 .4627 .1450 .0357
O1(9) .4313 .1773 .1596 .0323
O1/2(1) .1979 .1028 .2610 .0476
O1/2(2) .5547 .1832 .2750 .0261
O1/2(3) .8338 .1846 .2433 .0354
O2(1) .2185 .0313 .4143 .0339
O2(2) .2642 .3058 .3687 .0478
O2(3) .2605 .7463 .3806 .0361
O2(4) .5488 .0148 .4095 .0443
O2(5) .5993 .3021 .4188 .0203
O2(6) .0957 .2389 .3642 .0339
O2(7) .8835 .0242 .3715 .0274
O2(8) .9299 .3177 .3611 .0357
O2(9) .4317 .2329 .3829 .0339
O2/3(1) .2283 .8229 .5289 .0270
O2/3(2) .0124 .2738 .4999 .0364
O2/3(3) .3465 .3756 .5020 .0509
O3(1) .2166 .9603 .6719 .0351
O3(2) .2652 .6728 .6608 .0323
O3(3) .0520 .4566 .6221 .0323
O3(4) .0976 .1703 .6208 .0530
O3(5) .3833 .4466 .6532 .0394
O3(6) .4336 .1779 .6001 .0389
O3(7) .2660 .2413 .6136 .0402
O3(8) .5992 .2519 .6282 .0257
O3(9) .9283 .2457 .6348 .0300
O3/4(1) .1922 .2105 .7591 .0432
O3/4(2) .5043 .1271 .7462 .0387
O3/4(3) .8874 .1302 .7782 .0307
O4(1) .2178 .0194 .8823 .0386
O4(2) .2614 .3102 .8989 .0359
O4(3) .2661 .7311 .8732 .0293
O4(4) .5503 .0323 .8920 .0439
O4(5) .5997 .3032 .8437 .0208
O4(6) .0962 .2381 .8828 .0349
O4(7) .8821 .0248 .9247 .0322
O4(8) .9278 .3148 .9024 .0276
O4(9) .4298 .2452 .8700 .0283
O4/1(1) .1620 .8245 -.0098 .0363
O4/1(2) .0447 .3655 .0195 .0343
O4/1(3) .3777 .2816 .0170 .0499
Sample: average crystal structure
_database_code_amcsd 0006616
5.007 8.6004 8.2169 90 91.512 90 Cc
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1 .0764 .3073 .2108 .052 .043 .033 .080 .004 .031 .006
Si2 .0773 .3592 .8352 .052 .042 .034 .082 .004 .031 .008
O1 .2885 .7530 .2534 .044 .039 .047 .046 .010 .001 -.003
O2 .1440 .4647 .3082 .085 .048 .030 .176 -.014 -.017 .009
O3 .2884 .1797 .2703 .138 .032 .032 .350 .008 -.002 .008
O4 .5826 .1668 .5198 .188 .266 .216 .090 -.023 .132 -.014
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Total number of retrieved datasets: 2 View in amc, download in amc
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