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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=97459 Help
TitlePhase equilibria, crystal structures and dielectric anomaly in the (Ba Zr O3) - (Ca Zr O3) system.
AuthorsLevin, I.; Amos, T.G.; Bell, S.M.; Farber, L.; Vanderah, T.A.; Roth, R.S.; Toby, B.H.
ReferenceIC&volume=175&fpage=170&details=yes target=icsd_help>Journal of Solid State Chemistry (2003) 175, 170-181
Link XRef SCOPUS Google
CompoundBa1 O3 Zr1 - Barium zirconate [ABX3] [cP5] [c b a] [CaTiO3]
Cell4.19134(4), 4.19134(4), 4.19134(4), 90, 90, 90
PM3-M (221) V=73.63
RemarksR T =173 : =CaTiO3 : N
No R value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(1a)2
Zr1(1b)4
O1(3c)-2
0.0.0.01
0.50.50.501
0.0.50.501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(1a)2
Zr1(1b)4
O1(3c)-2
0.000.000.000.0.0.
0.000.000.000.0.0.
0.000.000.000.0.0.

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