American Mineralogist Crystal Structure Database

2 matching records for this search.

Vaterite
Download hom/vaterite.pdf
Wang J, Becker U
Download am/vol94/AM94_380.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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 (permalink)
 
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Total number of retrieved datasets: 2
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