American Mineralogist Crystal Structure Database

2 matching records for this search.

Letovicite
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Friese K, Aroyo M I, Schwalowsky I, Adiwidjaja G, Bismayer U
 
Journal of Solid State Chemistry 165 (2002) 136-147
The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship
to the room-temperature phase
Locality: synthetic
Sample: T = 293 K
_database_code_amcsd 0014022
15.418 5.905 10.223 90 102.806 90 C2/c
atom      x      y      z  Uiso
N1       .5  .2308    .25 .0415
N2   .19879  .2750 .15293 .0453
H1        0      0      0  .117
H2     .472   .160   .189  .117
H3     .465   .291   .272  .117
H4     .253   .293   .160  .117
H5     .176   .365   .097  .117
H6     .188   .154   .116  .117
H7     .185   .287   .206  .117
S    .11419 .21844 .46134 .0324
O1   .01482  .1851 .44230 .0495
O2   .15028  .2228 .60524 .0507
O3   .12875  .4325 .39863 .0530
O4   .14900  .0275 .39841 .0526
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View JMOL 3-D Structure (permalink)
 
(NH4)3H(SO4)2
 
Friese K, Aroyo M I, Schwalowsky I, Adiwidjaja G, Bismayer U
 
Journal of Solid State Chemistry 165 (2002) 136-147
The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship
to the room-temperature phase
Locality: synthetic
Sample: T = 420 K
Note: high-temperature polymorph of letovicite
_database_code_amcsd 0014023
5.9039 5.9039 22.5360 90 90 120 R-3m
atom     x      y      z occ  Uiso
N1       0      0      0     .0661
N2       0      0  .1994     .0755
H1      .5      0      0 1/3   .08
H2    .082  -.082   .014 1/3   .11
H3    .039  -.039   .964 1/3   .06
H4       0      0   .161       .18
H5    .064  -.064   .222       .31
S        0      0 .40947     .0594
O1   .0376 -.0376  .3428 1/3  .078
O2   .1352 -.1352 .57055     .0823
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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