American Mineralogist Crystal Structure Database

3 matching records for this search.

Urea
Download hom/urea.pdf
Swaminathan S, Craven B M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=300
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Urea
Download hom/urea.pdf
Swaminathan S, Craven B M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=300
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Urea
Download hom/urea.pdf
Swaminathan S, Craven B M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=300
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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