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 = 12 K
Locality: synthetic
_database_code_amcsd 0020674
5.565 5.565 4.684 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  .3260  .0063  .0063  .0035  .0002      0      0
H1   .2575 .7575  .2827  .0277  .0277  .0185 -.0143 -.0029 -.0029
H2   .1441 .6441 -.0380  .0294  .0294  .0116 -.0094  .0015  .0015
N    .1459 .6459  .1766  .0113  .0113  .0059 -.0052  .0004  .0004
O        0    .5  .5953  .0087  .0087  .0032  .0002      0      0
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