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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=100305 Help
TitleStrukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K.
AuthorsGuth, H.;Heger, G.;Klein, S.;Treutmann, W.;Scheringer, C.
ReferenceZeitschrift fuer Kristallographie (1980) 153, 237-254
Link XRef SCOPUS SCIRUS Google
Also: Acta Crystallographica B (1978) 34, 1624-1627
Link XRef SCOPUS SCIRUS Google
Also: Acta Crystallographica A (1970) 26, 543-558
Link XRef SCOPUS SCIRUS Google
CompoundC1 H4 N2 O1 - [Urea] Urea [AXY2] [tP16] [e c2] []
Cell5.572(8), 5.572(8), 4.686(8), 90., 90., 90.
P4-21M (113) V=145.49
RemarksR=0.034000 : NDS TEM =60 : MIN =Urea :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
C1(2c)4
O1(2c)-2
N1(4e)-3
H1(4e)1
H2(4e)1
00.50.3265(6)01
00.50.5949(7)01
0.1455(2)0.6455(2)0.1770(3)01
0.2571(7)0.7571(7)0.2808(1)01
0.1433(8)0.6433(8)-.0411(9)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
C1(2c)4
O1(2c)-2
N1(4e)-3
H1(4e)1
H2(4e)1
0.0084(7)0.0084(7)0.0080(11)0.0002(9)00
0.0114(9)0.0114(9)0.0087(13)-.0001(11)00
0.0156(5)0.0156(5)0.0121(1)-.0060(5)0.0002(4)0.0002(4)
0.0307(17)0.0307(17)0.0233(22)-.0118(21)-.0007(13)-.0007(13)
0.0326(16)0.0326(16)0.0184(21)-.0086(24)0.0021(12)0.0021(12)

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