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Re: [sdpd] Atomic Position
Dear Reshmi,
I found these two references, I hope they'll help you.
Good job and luck,
marco
Marco Sommariva
Materials Science Department
Via R. Cozzi 53, 20125 Milano, Italy
marco.sommariva...@mater.unimib.it
tel.: +39.02.64.48.51.41(2)
fax: +39.02.64.48.54.00
-----------------------------------------------------------------------------
COL ICSD Collection Code 54150
DATE Recorded Nov 30, 1999
NAME Barium strontium titanate (0.67/0.33/1)
FORM (Ba0.67 Sr0.33) (Ti O3)
= Ba.67 O3 Sr.33 Ti
TITL Crystal and electronic structures of (Ba, Sr) Ti O3
REF Materials Letters
MLETD 37 (1998) 285-289
AUT Liu R S, ChengÿYÿC, ChenÿJÿM, LiuÿRÿG,
WangÿJÿL, TsaiÿJÿC, HsuÿMÿY
CELL a=3.972(1) b=3.972(1) c=3.970(1) à=90.0
á=90.0 ç=90.0
V=62.7 Z=1
SGR P 4 m m (99) - tetragonal
CLAS 4mm (Hermann-Mauguin) - C4v (Schoenflies)
PRS tP5
ANX ABX3
PARM Atom__No OxStat Wyck -----X----- -----Y-----
-----Z----- -SOF-
Ba 1 2.000 1a 0. 0. 0.
0.67
Sr 1 2.000 1a 0. 0. 0.
0.33
Ti 1 4.000 1b 1/2 1/2 1/2
O 1 -2.000 1b 1/2 1/2 0.
O 2 -2.000 2c 0. 1/2
0.463(5)
WYCK c b2 a
ITF Ba 1 U=0.0197(4)
ITF Sr 1 U=0.0197(4)
ITF Ti 1 U=0.0185(6)
ITF O 1 U=0.034(3)
ITF O 2 U=0.129(4)
REM XDP (X-ray diffraction from a powder)
REM RVP
RVAL 0.080
-----------------------------------------------------------------------------------------------------------------------
COL ICSD Collection Code 88532
DATE Recorded Dec 20, 1999
NAME Barium strontium titanium oxide (0.26/0.74/1/3)
FORM (Ba0.256 Sr0.744) Ti O3
= Ba.256 O3 Sr.744 Ti
TITL Structural investigations on the (Ba, Sr) (Zr, Ti) O3
system
REF Journal of Physics D, Applied Physics
JPAPB 32 (1999) 1049-1057
AUT Joseph J, VimalaÿTÿM, RajuÿJ, MurthyÿVÿRÿK
CELL a=3.925(0) b=3.925(0) c=3.925(0) à=90.0
á=90.0 ç=90.0
V=60.5 Z=1
SGR P m -3 m (221) - cubic
CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies)
PRS cP5
ANX ABX3
PARM Atom__No OxStat Wyck -----X----- -----Y-----
-----Z----- -SOF-
Ba 1 2.000 1a 0. 0. 0.
0.2560(48)
Sr 1 2.000 1a 0. 0. 0.
0.7440(48)
Ti 1 4.000 1b 1/2 1/2 1/2
O 1 -2.000 3c 1/2 1/2 0.
WYCK c b a
ITF Ba 1 B=0.24(4)
ITF Sr 1 B=0.24(4)
ITF Ti 1 B=0.40(9)
ITF O 1 B=0.52(15)
REM XDP (X-ray diffraction from a powder)
REM RVP
RVAL 0.022
----- Original Message Follows -----
From: reshmi <resh_mir...@yahoo.com>
To: SDPD <sdpd...@yahoogroups.com>
Subject: [sdpd] Atomic Position
Date: Mon, 3 Apr 2006 06:35:06 -0700 (PDT)
> Dear All
> Can anyone help me find the atomic positions of Ba,
> Sr, Ti and O2 in Barium strontium titanate (BxSr1-xTi
> O3)
> regards
> reshmi
>
> Reshmi.R
> Research Scholar
> Department of Physics
> Optoelectronics device Laboratory
> Cochin University of Science and Technology
> Kochi 22
> India
>
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