American Mineralogist Crystal Structure Database

1 matching records for this search.

Ice IV
 
Engelhardt H, Kamb B
 
Journal of Chemical Physics 75 (1981) 5887-5899
Structure of ice IV, a metastable high-pressure phase
Note: T = 110 K, synthesized at 4-5.5 kb
Locality: synthetic
_database_code_amcsd 0018368
7.60 7.60 7.60 70.1 70.1 70.1 R-3c
atom     x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .3804 -.1109 -.2396           .0103  .0073  .0094 -.0021 -.0039 -.0092
O2   .0855  .0855  .0855           .0075  .0075  .0075 -.0042 -.0042 -.0042
H1     .03    .03    .03  .5  1.9
H2     .14    .18    .01  .5  1.9
H3     .21    .33   -.10  .5  1.9
H4     .30   -.01   -.28  .5  1.9
H5     .22    .11   -.34  .5  1.9
H6     .28    .41   -.02  .5  1.9
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