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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=49814 Help
TitleCrystal structure of coesite, a high-pressure form of Si O2, at 15 and 298 K from single-crystal neutron and X-ray diffraction data: test of bonding models.
AuthorsSmyth, J.R.; Smith, J.V.; Artioli, G.; Kvick, A.
ReferenceIC&volume=91&fpage=988&details=yes target=icsd_help>Journal of Physical Chemistry (1987) 91, 988-992
Link XRef SCOPUS Google
CompoundO2 Si1 - [Coesite] Silicon oxide [AX2] [mS48] [f5 e a] []
Cell7.1464(9), 12.3796(19), 7.1829(8), 90., 120.283(9), 90.
C12/C1 (15) V=548.76
RemarksR=0.048000 : M =Coesite : N P =14-654 : T =292 :
Cell in other C12/c1-setting: a'=7.134, beta'=119.60
PDF 14-654, 77-1726

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(8f)4
Si2(8f)4
O1(4a)-2
O2(4e)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
0.140.100.0701
0.500.150.5401
00001
0.50.110.7501
0.260.120.9401
0.310.100.3201
0.010.210.4701
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Si1(8f)4
Si2(8f)4
O1(4a)-2
O2(4e)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
0.000.000.00-.000.000.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.0000.000
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.000.00

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