American Mineralogist Crystal Structure Database

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Urea
Download hom/urea.pdf
Swaminathan S, Craven B M
Acta Crystallographica B40 (1984) 300-306
The crystal structure and molecular thermal motion of urea
at 12, 60 and 123 K from neutron diffraction
Note: neutron data, T = 123 K
Locality: synthetic
_database_code_amcsd 0020672
5.584 5.584 4.689 90 90 90 P-42_1m
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
C        0    .5  .3280  .0147  .0147  .0065  .0001      0      0
H1   .2557 .7557  .2841  .0440  .0440  .0216 -.0222 -.0031 -.0031
H2   .1431 .6431 -.0348  .0430  .0430  .0140 -.0158  .0019  .0019
N    .1447 .6447  .1785  .0286  .0286  .0095 -.0147  .0002  .0002
O        0    .5  .5962  .0197  .0197  .0063  .0017      0      0
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