American Mineralogist Crystal Structure Database

2 matching records for this search.

Wenkite
Download hom/wenkite.pdf
Merlino S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=30&spage=1262
Acta Crystallographica B30 (1974) 1262-1266
The crystal structure of wenkite
Locality: Candoglia, Italy
_database_code_amcsd 0009505
13.511 13.511 7.462 90 90 120 P-62m
atom    x     y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     0     0    .5  .875       .0042  .0042  .0068  .0021      0      0
K1      0     0    .5  .125       .0042  .0042  .0068  .0021      0      0
Ba2 .3932     0    .5  .875       .0015  .0024  .0136 .00075      0      0
K2  .3932     0    .5  .125       .0015  .0024  .0136 .00075      0      0
Ca1 .4988 .2743     0 .9167       .0025  .0037  .0155  .0010      0      0
Na1 .4988 .2743     0 .0833       .0025  .0037  .0155  .0010      0      0
Si1 .2666 .1336 .2178    .6   .8
Al1 .2666 .1336 .2178    .4   .8
Si2 .4380 .3008    .5   .56   .4
Al2 .4380 .3008    .5   .44   .4
Si3   2/3   1/3  .397   .11   .4
Al3   2/3   1/3  .397   .39   .4
S   .5200 .5200     0        1.3
O1   .296  .145     0         .2
O2   .392  .215  .317        1.4
O3   .216     0  .294         .8
O4   .170  .170  .275        1.0
O5   .399  .399    .5        2.2
O6   .580  .378    .5        1.3
O7    2/3   1/3  .170    .5  3.0
OH7   2/3   1/3  .170    .5  3.0
O8   .421  .402 -.049   .25   .9
O9   .492  .606  .074   .25  2.6
O10  .599  .553 -.158   .25  1.6
O11  .591  .499  .154   .25  2.9
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wenkite
Download hom/wenkite.pdf
Wenk H R
Download zk/vol137/ZK137_113.pdf
Zeitschrift fur Kristallographie 137 (1973) 113-126
The structure of wenkite
Locality: Cava Mergozzoni, Candoglia, Norvara, Italy
_database_code_amcsd 0010743
13.515 13.515 7.465 90 90 120 P-62m
atom     x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1      0      0  .015  .48  1.2  .0021  .0021  .0104 .00105      0      0
Ba2  .3927      0 .0212   .5 1.05  .0020  .0020  .0149  .0010      0      0
Ca   .2243 -.2753  .488  .41  1.8  .0050  .0033  .0110  .0030      0      0
Al1  .1378 -.3006     0 .651  .67
Si1  .1378 -.3006     0 .349  .67
Al2    1/3   -1/3  .103 .325   .4
Si2    1/3   -1/3  .103 .175   .4
Al3  .1333 -.1335 .2820 .651  .75
Si3  .1333 -.1335 .2820 .349  .75
O1       0  -.400     0       1.9
O2    .207  -.376     0       1.4
O3    .216      0  .208       1.4
O4    .179  -.215  .182       1.8
O5       0  -.171  .219       1.5
OH6    1/3    2/3  .320   .5  1.0
O7    .150  -.144    .5       1.3
S1   .4831      0    .5       1.5
O8    .430      0  .327   .5  6.9
O9    .493  -.406  .394   .5  5.8
O10      0  -.408    .5   .5  5.0
Wat      0      0    .5  .24
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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