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R: [sdpd] structure info of ZnO
Dear Isaac,
I found this two type of ZnO, goodbye, marco
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COL ICSD Collection Code 26170
DATE Recorded Sep 23, 1986; updated Sep 23, 1986
NAME Zinc oxide
FORM Zn O
= O Zn
TITL Remeasurement of the Structure of Hexagonal Zn O
REF Acta Crystallographica B (24,1968-38,1982)
ACBCA 25 (1969) 1233-1236
AUT Abrahams S C, BernsteinÿJÿL
CELL a=3.250(0) b=3.250(0) c=5.207(0) à=90.0 á=90.0 ç=120.0
V=47.6 D=5.64(1) Z=2
SGR P 63 m c (186) - hexagonal
CLAS 6mm (Hermann-Mauguin) - C6v (Schoenflies)
PRS hP4
ANX AX
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Zn 1 2.000 2a 0. 0. 0.
O 1 -2.000 2a 0. 0. 0.3825(14)
WYCK a2
ITF Zn 1 B=0.63
ITF O 1 B=0.68
RVAL 0.038
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COL ICSD Collection Code 29272
DATE Recorded Jan 1, 1980
NAME Zinc oxide
FORM Zn O
= O Zn
TITL The Wurtzite Z Parameter for Beryllium Oxide and Zinc Oxide
REF Acta Crystallographica B (24,1968-38,1982)
ACBCA 25 (1969) 2254-2256
AUT Sabine T M, HoggÿS
CELL a=3.243 b=3.243 c=5.195 à=90.0 á=90.0 ç=120.0
V=47.3 Z=2
SGR P 63 m c (186) - hexagonal
CLAS 6mm (Hermann-Mauguin) - C6v (Schoenflies)
PRS hP4
ANX AX
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Zn 1 2.000 2b 1/3 2/3 0.
O 1 -2.000 2b 1/3 2/3 0.3826(7)
WYCK b2
ITF Zn 1 B=0.31
ITF O 1 B=0.55
REM NDS (neutron diffraction from a single crystal)
RVAL 0.047
----- Original Message -----
From: ikexia <Xia_CT...@mail.siom.ac.cn>
To: <sdpd...@yahoogroups.com>
Sent: Monday, March 21, 2005 3:38 AM
Subject: [sdpd] structure info of ZnO
>
>
> Dear All:
>
> I am looking for the structure info of ZnO in order to make a
> Rietveld Refinement. If you have, pls send me.
>
> Thank you very much for your kind help!
>
> Sincerely yours,
> isaac
>
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