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CRYSTAL-STRUCTURES OF GADOLINIUM-DOPED AND YTTRIUM-DOPED BARIUM CERATE
被引:50
作者:
KNIGHT, KS
[1
]
SOAR, M
[1
]
BONANOS, N
[1
]
机构:
[1] BP RES CO,SUNBURY RES CTR,SUNBURY TW16 7LN,MIDDX,ENGLAND
关键词:
NEUTRON DIFFRACTION;
POWDER DIFFRACTION;
PEROVSKITE;
SOLID ELECTROLYTE;
IONIC CONDUCTIVITY;
D O I:
10.1039/jm9920200709
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The crystal structures of two doped, oxide ion and protonic conducting perovskites, BaCe0.9M0.1O2.95 with M = Gd or Y, have been refined from room-temperature neutron powder diffraction data. Both compounds are orthorhombic, space group Pmcn, Z = 4, with lattice constants a = 8.7705(4) angstrom, b = 6.2233(3) angstrom, c = 6.2393(3) angstrom for BaCe0.9Y0.1O2.95 and a = 8.7728(16) angstrom, b = 6.2219(12) angstrom, c = 6.2443(14) angstrom for BaCe0.9Gd0.1O2.95. The lattice constants and fractional coordinates of both compounds are shifted only slightly from the undoped compound indicating the good lattice match of Y3+/Gd3+ for Ce4+ . For Y-doping, the extrinsic anion vacancy has been found to lie on only one of the two crystallographically distinct oxygen sites but the extreme absorption cross-section of Gd precluded refinement of the oxygen site occupancies in BaCe0.9Gd0.1O2.95.
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页码:709 / 712
页数:4
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