American Mineralogist Crystal Structure Database

3 matching records for this search.

Iowaite
Download hom/iowaite.pdf
Braithwaite R S W, Dunn P J, Pritchard R G, Paar W H
Download mm/vol58/MM58_79.pdf
Mineralogical Magazine 58 (1994) 79-85
Iowaite, a re-investigation
Locality: Palabora open pit mine, Phalaborwa, Transvaal
_database_code_amcsd 0014506
3.1183 3.1183 24.113 90 90 120 R-3m
atom     x     y      z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg       0     0      0   .75       .0077  .0077  .0268  .0039      0      0
Fe       0     0      0   .25       .0077  .0077  .0268  .0039      0      0
O      1/3   2/3 .04206             .0166  .0166  .0191  .0058      0      0
H      1/3   2/3  .0670       .010
Cl   .2105 .7895    1/6 .0417        .245   .232   .046      0      0   .017
Wat  .2105 .7895    1/6 .0833        .245   .232   .046      0      0   .017
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View JMOL 3-D Structure (permalink)
 
Herbertsmithite
 
Braithwaite R S W, Mereiter K, Paar W H, Clark A M
Download mm/vol68/MM68_527.pdf
Mineralogical Magazine 68 (2004) 527-539
Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite
Note: structure was sent to us from Kurt Mereiter by email
Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile
_database_code_amcsd 0014574
6.834  6.834  14.075  90  90  120 R-3m
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn       0      0    .5        .0114  .0114  .0067  .0057      0      0
Cu2     .5      0     0        .0081  .0076  .0109  .0038  .0011  .0023
O    .2056 -.2056 .0612        .0099  .0099  .0133  .0053  .0007 -.0007
Cl       0      0 .1943        .0144  .0144  .0107  .0072      0      0
H    .1375 -.1375 .0862 .0400
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kapellasite
 
Krause W, Bernhardt H J, Braithwaite R S W, Kolitsch U, Pritchard R
 
Mineralogical Magazine 70 (2006) 329-340
Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its
crystal structure
Locality: Lavrion, Greece
_database_code_amcsd 0014577
6.300 6.300 5.733 90 90 120 P-3m1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Cu      .5     0    .5     .0165  .0130  .0153  .0221  .0076  .00060  .0012
Zn       0     0    .5     .0176  .0134  .0134  .0259  .0067       0      0
Cl1    1/3   2/3 .1373     .0251  .0276  .0276  .0200  .0138       0      0
Cl2  .3544 .1772 .3454 .03 .0161  .0179  .0155  .0158  .0090  -.0012  .0006
OH2  .3544 .1772 .3454 .97 .0161  .0179  .0155  .0158  .0090  -.0012  .0006
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: 3
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