American Mineralogist Crystal Structure Database

2 matching records for this search.

Wegscheiderite
Download hom/wegscheiderite.pdf
Fernandes N G, Tellgren R, Olovsson I
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=46&spage=466
Acta Crystallographica B46 (1990) 466-474
Structure and electron density of pentasodium trihydrogentetracarbonate
Locality: synthetic
Note: anisotropic displacement factors from ICSD
_database_code_amcsd 0009841
3.4762 10.0393 15.5969 107.770 95.589 95.028 P-1
atom      x      y      z   Uiso B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1  .78632 .67317 .04873 .01898 .03167 .004102 .001761 -.00096 .000306 .001080
Na2  .81130 .18185 .09932 .02000 .02881 .004819 .002358 .003074 .002053 .001907
Na3  .18047 .71800 .27916 .01813 .02772 .003293 .001980 .000425 .000437 .000705
Na4  .42761 .21298 .30787 .01853 .03099 .003063 .001936 .001006 .001564 .000359
Na5  .77185 .74803 .47762 .01780 .03072 .003263 .001894 .001503 .001531 .000854
C1   .41972 .47544 .13898 .01291 .02197 .002619 .001280 .001033 .000897 .000634
C2   .13807 .46837 .37668 .01216 .02240 .002318 .001151 .000805 .000545 .000565
C3   .23680 .93709 .12978 .01322 .02433 .002692 .001182 .000628 .000545 .000565
C4   .75976 .99593 .38122 .01149 .02094 .002191 .001072 .000680 .000822 .000429
O1   .28749 .55431 .09748 .02201 .03352 .005138 .002499 .002264 -.00016 .002256
O2   .37640 .34347 .10976 .01874 .03460 .002607 .001831 .000839 -.00022 .000143
O3   .62239 .54136 .22131 .01733 .03626 .002823 .001370 -.00025 -.00046 .000381
O4   .94197 .38381 .30290 .01703 .03223 .003046 .001423 -.00086 -.00100 .000522
O5   .18035 .60058 .39492 .01565 .03168 .002293 .001587 .001188  .00055 .000625
O6   .30491 .40970 .43290 .01691 .03922 .002814 .001350 .001878 -.00038 .000808
O7   .30385 .85333 .05650 .01947 .04048 .004107 .001313 .001590 .002183 .000384
O8   .30195 .06961 .15427 .01728 .03496 .002683 .001773 .000399 .001535 .000861
O9   .07345 .87712 .18646 .01772 .04183 .002835 .001489 .000445 .002725 .000762
O10  .88991 .06120 .32907 .01803 .03742 .003326 .001819 .001322 .002918 .001288
O11  .73764 .86380 .36291 .01512 .03165 .002175 .001471 .000847 .001296 .000470
O12  .64812 .07382 .45689 .01705 .03623 .002793 .001428 .001826 .002553 .000197
H1     .715   .469   .248   .044
H2       .5     .5     .5   .044
H3     .009   .955   .239   .044
H4       .5      0     .5   .044
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Grossular
Download hom/grossular.pdf
Resende J A L C, Fernandes N G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=265
Acta Crystallographica E61 (2005) i265-i267
X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil
Locality: Diamantina, Minas Gerais, Brazil
_database_code_amcsd 0010465
11.9220 11.9220 11.9220 90 90 90 Ia3d
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .125      0    .25      .00837  .0047  .0102  .0102      0      0  .0002
Al        0      0      0 .669 .00682  .0068  .0068  .0068  .0007  .0007  .0007
Fe        0      0      0 .331 .00682  .0068  .0068  .0068  .0007  .0007  .0007
Si     .375      0    .25      .01133  .0098  .0121  .0121      0      0      0
O    .09665 .20236 .28915      .01108  .0074  .0116  .0143  .0003 -.0062  .0045
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Total number of retrieved datasets: 2
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