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TETRAGONAL ZR2COD5 WITH FILLED AL2CU-TYPE STRUCTURE AND ORDERED DEUTERIUM DISTRIBUTION

被引：27
作者：
BONHOMME, F
YVON, K
ZOLLIKER, M
机构：
[1] ETH ZURICH,NEUTRONENSTREUUNG LAB,CH-5232 VILLIGEN PSI,SWITZERLAND
[2] PAUL SCHERRER INST,CH-5232 VILLIGEN PSI,SWITZERLAND
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 1993年 / 199卷 / 1-2期
关键词：
D O I：
10.1016/0925-8388(93)90438-S
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：
Tetragonal Zr2CoD5 (measured composition, Zr2CoD4.82(1); space group symmetry P4/ncc; a=6.9251(5) angstrom, c=5.6462(6) angstrom; T=298 K; Z=4; refined composition Zr2CoD5.05(2)) was synthesized from intermetallic Zr2Co (Al2Cu-type structure; space group symmetry I4/mcm; a=6.3642(4) angstrom, c=5.5204(3) angstrom) by reaction with deuterium at 398 K and 15 bar pressure. Neutron powder diffraction shows that deuterium fills tetrahedral [Zr4] and [Zr3Co] interstices in an ordered way. Cobalt is surrounded by deuterium in an approximately square-planar configuration with Co-D bond distances of 1.663(2) angstrom. The shortest Zr-D bond and D-D contact distances are 2.044(1) angstrom and 2.092(1) angstrom respectively. The compound decomposes at 773 K and 1 bar H-2 pressure into ZrH2 and ZrCo2.
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页码：129 / 132
页数：4
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