American Mineralogist Crystal Structure Database

2 matching records for this search.

Malachite
Download hom/malachite.pdf
Susse P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=22&spage=146
Acta Crystallographica 22 (1967) 146-151
Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3
_database_code_amcsd 0009305
9.502 11.974 3.240 90 98.75 90 P2_1/a
atom      x      y      z  Biso
Cu1  .49807 .28787 .89313 1.082
Cu2  .23229 .39321 .38832 1.043
Oh1  .09400 .35169  .9160   .38
Oh2  .37653 .41610  .8649   .46
H1      .02    .38    .71   4.0
H2      .41    .50    .86   4.0
C     .2666 .14042  .4710   .52
O1   .13123 .13627  .3381   .55
O2   .33267 .23506  .4446   .53
O3   .33414 .05557  .6289   .64
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Malachite
Download hom/malachite.pdf
Zigan F, Joswig W, Schuster H U, Mason S A
 
Zeitschrift fur Kristallographie 145 (1977) 412-426
Verfeinerung der Struktur von Malachit, Cu2(OH)2CO3, durch Neutronenbeugung
_database_code_amcsd 0010795
9.502 11.974 3.240 90 98.75 90 P2_1/a
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .49814 .28793 .8925  .0065  .0068  .0105  .0013 -.0019 -.0005
Cu2  .23242 .39331 .3880  .0068  .0066  .0094  .0005 -.0023 -.0012
O1   .13150 .13646 .3417  .0073  .0091  .0168 -.0008 -.0031  .0021
O2   .33325 .23591 .4500  .0081  .0065  .0145 -.0013 -.0021  .0005
O3   .33412 .05622 .6308  .0088  .0071  .0176 -.0005 -.0035  .0017
O4   .09403 .35155 .9191  .0070  .0066  .0122 -.0013 -.0025 -.0007
O5   .37725 .41615 .8598  .0077  .0064  .0137  .0008 -.0029 -.0005
C1   .26622 .14075 .4727  .0062  .0060  .0089 -.0009 -.0012 -.0003
H1    .0167  .4048 .8444  .0198  .0196  .0305  .0057 -.0014  .0013
H2    .4105  .4918 .8296  .0288  .0140  .0388 -.0059 -.0016 -.0001
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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Total number of retrieved datasets: 2
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