American Mineralogist Crystal Structure Database

2 matching records for this search.

Vaterite
Download hom/vaterite.pdf
Wang J, Becker U
 
American Mineralogist 94 (2009) 380-386
Structure and carbonate orientation of vaterite (CaCO3)
Locality: theoretical
Note: Coordinates corrected by Wang, Sept, 2009
_database_code_amcsd 0004854
7.290 7.290 25.302 90 90 120 P6_522
atom      x      y      z
Ca1  .99061 .00939 .08333
Ca2  .69615 .30385 .08333
Ca3  .33860 .66140 .08333
C1   .05054 .37261 .99480
C2        0 .30905 .66667
O1        0 .13101 .66667
O2   .98950 .39074 .62171
O3   .96481 .28935 .94960
O4   .22645 .55089 .99617
O5   .96346 .28119 .03914
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Jarosite
Download hom/jarosite.pdf
Becker U, Gasharova B
 
Physics and Chemistry of Minerals 28 (2001) 545-556
AFM observations and simulations of jarosite growth at the molecular scale:
probing the basis for the incorporation of foreign ions into jarosite
as a storage mineral
_database_code_amcsd 0008600
7.3110 7.3110 17.175 90 90 120 R-3m
atom      x      y      z occ
K         0      0      0 .81
H3O       0      0      0 .19
Fe        0     .5     .5 .96
S         0      0 .30862
O1        0      0 .39399
O2   .22322 .77678 .94625
O3   .12707 .87293 .13500 .94
H    .16750 .83250 .11693 .94
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 2
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