American Mineralogist Crystal Structure Database

6 matching records for this search.

Na3AsO3S.12H2O
 
Kempa P B, Wiebcke M, Felsche J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=729
Acta Crystallographica C46 (1990) 729-732
Structure of trisodium monothioarsenate dodecahydrate
Sample: T = 213 K
_database_code_amcsd 0010125
9.220 12.831 13.906 90 90 90 P2_12_12_1
atom      x      y      z   Uiso
As   .24841 .45298 .27059 .01022
S     .2671 .29250 .22779  .0181
Na1   .2606  .2125  .6037  .0249
Na2   .2480  .0081  .4771  .0224
Na3   .2400 -.2226  .3909  .0200
O1    .1958  .4604  .3867  .0189
O2    .1245  .5142  .2010  .0167
O3    .4102  .5153  .2587  .0147
O4    .3902  .2752  .7480  .0238
O5    .3542  .3731  .5320  .0208
O6    .0534  .3133  .6455  .0227
O7    .4460  .1143  .5293  .0242
O8    .1648  .1786  .4299  .0270
O9    .0875  .0726  .5990  .0237
O10   .3506 -.0657  .3373  .0251
O11   .3452 -.1499  .5476  .0244
O12   .0486 -.1058  .4290  .0219
O13   .1410 -.3635  .4832  .0249
O14   .4536 -.3240  .3865  .0233
O15   .1438  .0005  .2165   .051
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Na3HSiO4.H2O
 
Schmid R L, Felsche J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1365
Acta Crystallographica C46 (1990) 1365-1368
Structure of trisodium hydrogenorthosilicate monohydrate
_database_code_amcsd 0010162
7.898 5.960 11.142 90 105.57 90 P2_1/c
atom     x      y     z Biso
Si   .6907  .2087 .3647  .61
Na1    .25  .0102 .3342 1.24
Na2  .3990  .3071 .5667 1.30
Na3  .9772 -.2439 .4391 1.21
O1   .4902  .2715 .3826 1.10
O2   .7694  .0138 .4636  .89
O3   .8098  .4343 .3914  .90
O4   .6631  .1359 .2198  .97
O5   .0739  .3471 .2789 1.48
H11   .553   .887  .156  1.3
H51  -.001   .398  .316  1.0
H52   .143   .466  .285   .8
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Metaborite
Download hom/metaborite.pdf
Freyhardt C C, Wiebcke M, Felsche J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=56&spage=276
Acta Crystallographica C56 (2000) 276-278
The monoclinic and cubic phases of metaboric acid (precise redeterminations)
Locality: synthetic
_database_code_amcsd 0018652
8.8811 8.8811 8.8811 90 90 90 P-43n
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
B    .71733 .80853 .58110      .00421 .00403 .00397 .00006  .00022 -.00001
O1   .82221 .92596 .64509      .00374 .00327  .0058 .00029 -.00085 -.00098
O2   .80015 .66772 .58016      .00556 .00352 .00355 .00102  .00044  .00027
H     .9275  .8920  .6707 .035
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Clinometaborite
 
Freyhardt C C, Wiebcke M, Felsche J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=56&spage=276
Acta Crystallographica C56 (2000) 276-278
The monoclinic and cubic phases of metaboric acid (precise redeterminations)
Locality: synthetic
_database_code_amcsd 0018653
6.758 8.844 7.075 90 93.50 90 P2_1/c
atom      x       y      z Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
B1   .82973 -.04305 .23313      .00797 .00388 .01178 -.00004 .00394 -.00032
B2   .97799  .21057 .26215      .00788  .0042 .01121 -.00041 .00275 -.00058
B3   .67149  .16278 .40129      .00819 .00480 .01143  .00057 .00363 -.00048
O1   .99486  .06010 .21706      .00789 .00376 .01320 -.00088 .00417 -.00123
O2   .81676  .26220 .35432      .00953 .00489 .01783 -.00085 .00672 -.00219
O3   .68233  .01329 .35631      .00987 .00441 .01469 -.00015 .00682 -.00105
O4   .87806 -.19463 .28819      .00966 .00390 .01601  .00162 .00549  .00134
O5   .72270 -.04719 .03131      .01026 .00778 .01184 -.00225 .00267 -.00057
O6   .51804  .21638 .49931      .01098 .00598 .01801  .00125 .00834 -.00018
H1     .638  -.1334   .006 .047
H2     .822  -.0530 -.0703 .051
H3    .4367   .1347  .5269 .039
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Diaoyudaoite
Download hom/diaoyudaoite.pdf
Felsche J
Download zk/vol127/ZK127_94.pdf
Zeitschrift fur Kristallographie 127 (1968) 94-100
The alkali problem in the crystal structure of beta alumina
_database_code_amcsd 0010660
5.5962 5.5962 22.526 90 90 120 P6_3/mmc
atom     x     y     z Biso
Al1  .1665 .3331 .6060  .46
Al2    1/3   2/3 .0248  .38
Al3    1/3   2/3 .1753  .38
Al4      0     0     0  .42
Na     2/3   1/3   .25 1.86
O1   .1624 .3249 .0496  .69
O2   .5016 .0032 .1464  .39
O3     1/3   2/3 .5540  .36
O4       0     0 .1421  .43
O5     1/3   2/3   .25  .96
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Diaoyudaoite
Download hom/diaoyudaoite.pdf
Felsche J
 
Naturwissenschaften 54 (1967) 612-613
Zur kristallstruktur von beta-aluminiumoxid
Note: x,y coordinates of O3 altered to produce a more reasonable structure
Locality: synthetic
_database_code_amcsd 0014697
5.5962 5.5962 22.526 90 90 120 P6_3/mmc
atom   x   y      z
Na   2/3 1/3    .25
Al1  1/6 1/3 .60601
Al2  1/3 2/3  .0248
Al3  1/3 2/3  .1758
Al4    0   0      0
O1   1/6 1/3  .0495
O2    .5   0  .1463
O3   1/3 2/3  .5540
O4     0   0  .1421
O5   1/3 2/3    .25
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Total number of retrieved datasets: 6
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