American Mineralogist Crystal Structure Database

1 matching records for this search.

Mercallite
Download hom/mercallite.pdf
Cotton F A, Frenz B A, Hunter D L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=302
Acta Crystallographica B31 (1975) 302-304
The structure of potassium hydrogensulfate
Locality: synthetic
Note: y(O23), z(H1), x(H2) corrected
_database_code_amcsd 0009528
8.412 9.800 18.9570 90 90 90 Pbca
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
K1    .3824  .1806 .12496       .0060  .0064 .00130 -.0003  .00001  .00020
K2   -.1227  .3197 .11841       .0059  .0053 .00121 -.0001  .00000 -.00009
S1    .2543  .4227 .00266       .0034  .0043 .00110 -.0003  .00000 -.00006
S2   -.0192  .0167 .20600       .0037  .0056 .00109  .0004 -.00012  .00006
O11   .2901  .5793  .0016       .0041  .0045  .0019 -.0001  -.0003   .0001
O12   .4079  .3521  .0032       .0042  .0044  .0019  .0009  .00004   .0002
O13   .1669  .3967 -.0613       .0083  .0069  .0016 -.0003  -.0014  -.0007
O14   .1657  .3987  .0665       .0077  .0075  .0018 -.0003   .0017   .0001
O21   .0607 -.0012  .2741       .0070  .0105  .0015 -.0012  -.0009   .0016
O22  -.1625  .1128  .2223       .0047  .0060  .0019  .0002   .0005  -.0002
O23  -.0812 -.1080  .1784       .0079  .0071  .0031  .0003  -.0007  -.0016
O24   .0767  .0946  .1579       .0060  .0109  .0015 -.0005   .0007   .0010
H1     .373   .601   .004  1.6
H2     .272   .065   .272  4.0
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