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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