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ICSD for WWW : Details

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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=71505 Help
TitleAtomic positional disorder, phonon spectrum and molecular dynamics simulation of Tl2CaBa2Cu2O8 and Tl2Ca2Ba2Cu3O10.
AuthorsChaplot, S.L.
ReferencePhysical Review, Serie 3. B - Condensed Matter (1992) 45, 4885-4891
Link XRef SCOPUS SCIRUS Google
CompoundBa2 Ca1 Cu2 O8 Tl2 - Dithallium(III) calcium dibarium dicopper oxide [AB2C2D2X8] [tI30] [o2 n3 m a] []
Cell3.79, 3.79, 30.59, 90., 90., 90.
I4/MMM (139) V=439.4
RemarksDEF TEM =300 : THE
At least one temperature factor missing in the paper.
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.
No R value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Tl1(32o)3
Ca1(2a)2
Ba1(16n)2
Cu1(16n)2
O1(16n)-2
O2(16m)-2
O3(32o)-2
0.510.60.2152.10.125
0000.61
0.0100.1220.60.25
0.510.50.0560.50.25
0.5100.0550.60.5
0.510.490.1521.0.25
0.620.470.2782.50.125

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