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Urea |
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Guth H, Heger G, Klein S, Treutmann W, Scheringer C |
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Zeitschrift fur Kristallographie 153 (1980) 237-254 |
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Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei |
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60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K |
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Sample: T = 100 K |
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5.576 5.576 4.692 90 90 90 P-42_1m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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C 0 .5 .3290 .0127 .0127 .0056 .0006 0 0 |
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O 0 .5 .5970 .0161 .0161 .0052 .0015 0 0 |
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N .1455 .6455 .1791 .0244 .0244 .0082 -.0118 .0001 .0001 |
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H1 .2561 .7561 .2855 .0403 .0403 .0256 -.0192 -.0022 -.0022 |
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H2 .1429 .6429 -.0370 .0403 .0403 .0153 -.0132 .0021 .0021 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
|
Urea |
|
Guth H, Heger G, Klein S, Treutmann W, Scheringer C |
|
Zeitschrift fur Kristallographie 153 (1980) 237-254 |
|
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei |
|
60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K |
|
Sample: T = 293 K |
|
5.645 5.645 4.704 90 90 90 P-42_1m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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C 0 .5 .3328 .0353 .0353 .0155 .0006 0 0 |
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O 0 .5 .5976 .0506 .0506 .0160 .0038 0 0 |
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N .1418 .6418 .1830 .0692 .0692 .0251 -.0353 -.0003 -.0003 |
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H1 .2527 .7527 .2839 .0838 .0838 .0478 -.0429 -.0071 -.0071 |
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H2 .1389 .6389 -.0306 .0853 .0853 .0267 -.0292 .0041 .0041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Urea |
|
Guth H, Heger G, Klein S, Treutmann W, Scheringer C |
|
Zeitschrift fur Kristallographie 153 (1980) 237-254 |
|
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei |
|
60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K |
|
Sample: T = 123 K |
|
5.578 5.578 4.695 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) |
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C 0 .5 .3290 .0174 .0174 .0116 .0008 0 0 |
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O 0 .5 .5970 .0220 .0220 .0119 .0020 0 0 |
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N .1445 .6445 .1791 .0333 .0333 .0149 -.0161 .0002 .0002 |
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H1 .2561 .7561 .2855 .0484 .0484 .0308 -.0231 -.0027 -.0027 |
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H2 .1429 .6429 -.0370 .0485 .0485 .0184 -.0159 .0025 .0025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Urea |
|
Guth H, Heger G, Klein S, Treutmann W, Scheringer C |
|
Zeitschrift fur Kristallographie 153 (1980) 237-254 |
|
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei |
|
60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K |
|
Sample: T = 60 K |
|
5.572 5.572 4.686 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 .0084 .0084 .0080 .0002 0 0 |
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O 0 .5 .5949 .0114 .0114 .0087 -.0001 0 0 |
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N .1455 .6455 .1770 .0156 .0156 .0121 -.0060 .0002 .0002 |
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H1 .2571 .7571 .2808 .0307 .0307 .0233 -.0118 -.0007 -.0007 |
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H2 .1433 .6433 -.0411 .0326 .0326 .0184 -.0086 .0021 .0021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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