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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=77450 Help
TitleStatic disorder of dodecasil 3C. A Single-crystal study with synchrotron radiation.
AuthorsKoennecke, M.;Miehe, G.;Fuess, H.
ReferenceZeitschrift fuer Kristallographie (1992) 201, 147-155
Link XRef SCOPUS SCIRUS Google
CompoundO2 Si1 - [Dodecasil 3C] Silicon oxide [AX2] [cF408] [i2 h g2 f2 e a] []
Cell19.369(6), 19.369, 19.369, 90., 90., 90.
FD3-MZ (227) V=7266.44
RemarksR=0.071000 : MIN =Dodecasil 3C : PDF =47-720 : RVP TEM =523 : XDP DEF
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.
For unsplit O-positions cp. 77449

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(96g)4
Si2(32e)4
Si3(8a)4
O1(96h)-2
O2(96g)-2
O3(192i)-2
O4(48f)-2
O5(48f)-2
O6(192i)-2
0.06742(4)0.067420.37000(6)01
0.21637(6)0.216370.2163701
0.1250.1250.1250.0241(7)1
00.3433(2)-.343301
0.1887(5)0.18870.2889(5)00.5
0.2074(9)0.2059(9)0.2966(3)00.25
0.1250.1250.3791(16)00.5
0.1250.1250.3688(15)00.5
0.1728(8)0.1838(5)0.1549(6)00.1667
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(96g)4
Si2(32e)4
Si3(8a)4
O1(96h)-2
O2(96g)-2
O3(192i)-2
O4(48f)-2
O5(48f)-2
O6(192i)-2
0.0313(4)0.03130.0322(7)0.0036(4)-0.0031(3)-0.0031
0.0276(4)0.02760.0276-0.0004(4)-0.0004-0.0004
000000
0.055(2)0.113(2)0.113-0.025(2)-0.025-0.018(3)
0.082(6)0.0820.029(5)-0.029(7)0.012(3)0.012
0.116(15)0.107(15)0.063(5)-0.039(5)0.000(11)0.033(11)
0.105(10)0.1050.061(9)-0.032(10)00
0.043(6)0.0430.107(15)-0.023(6)00
0.095(15)0.054(9)0.032(6)-0.047(7)-0.026(9)0.015(9)

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