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Re: [sdpd] Atomic Position
Hi
Thank you very much
regards
reshmi
--- "marco.sommariva...@mater.unimib.it"
<marco.sommariva...@mater.unimib.it> wrote:
> 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, Cheng�Y�C, Chen�J�M,
Liu�R�G,
> Wang�J�L, Tsai�J�C, Hsu�M�Y
> CELL a=3.972(1) b=3.972(1) c=3.970(1) �=90.0
> �=90.0 �=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, Vimala�T�M, Raju�J,
Murthy�V�R�K
> CELL a=3.925(0) b=3.925(0) c=3.925(0) �=90.0
> �=90.0 �=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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Reshmi.R
Research Scholar
Department of Physics
Optoelectronics device Laboratory
Cochin University of Science and Technology
Kochi 22
India
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