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 = 60 K
Locality: synthetic
_database_code_amcsd 0020673
5.570 5.570 4.688 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  .3265  .0088  .0047  .0047 -.0001      0      0
H1   .2569 .7569  .2832  .0325  .0325  .0196 -.0170 -.0025 -.0025
H2   .1438 .6438 -.0371  .0331  .0331  .0122 -.0108  .0021  .0021
N    .1455 .6455  .1771  .0167  .0167  .0069 -.0084  .0003  .0003
O        0    .5  .5954  .0121  .0039  .0039  .0001      0      0
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