American Mineralogist Crystal Structure Database

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Urea
Download hom/urea.pdf
Worsham J, Levy H, Peterson S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=10&spage=319
Acta Crystallographica 10 (1957) 319-323
The positions of hydrogen atoms in urea by neutron diffraction
_cod_database_code 1008776
_database_code_amcsd 0016652
5.661 5.661 4.712 90 90 90 P-42_1m
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
C1       0    .5  .333   2.35   2.35    .85      0      0      0
O1       0    .5 .5968   3.74   3.74    .80      0      0      0
N1   .1439 .6439 .1832   4.86   4.86   1.39      0   -.07   -.07
H1   .2522 .7522 .2839   6.33   6.33   3.54      0   -.34   -.34
H2   .1365 .6365 .9724   6.72   6.72   1.82      0   -.23   -.23
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