Crystal structure of two hydrides formed from a Ti-V-MnBCC solid solution alloy studied by time-of-flight neutron powder diffraction -: a NaCl structure and a CaF2 structure
Crystal structure of two hydrides formed from a Ti-V-MnBCC solid solution alloy studied by time-of-flight neutron powder diffraction -: a NaCl structure and a CaF2 structure
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DOI：
10.1016/s0925-8388(00)01503-6
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发表时间：
2001-03-02
影响因子：
6.2
通讯作者：
Akiba, E
中科院分区：
文献类型：
--
作者：
Nakamura, Y;Oikawa, K;Akiba, E
我们通过中子和 X 射线粉末衍射研究了 BCC 固溶体合金 Ti1.0V1.1Mn0.9 形成的两种氢化物的晶体结构。一氢化物(Ti1.0V1.1Mn0.9)D-2.0具有伪立方氯化钠结构。晶格常数为a' = 0.41278(4) nm，c' = 0.37685(6) nm，其中c'轴比a'轴短9%。在此相中，氢原子占据被六个金属原子包围的八面体 (O) 位点。二氢化物 (Ti1.0V1.1Mn0.9)D-5.4 具有 CaF2 结构 (a = 0.431935(5) nm)，氢原子占据四面体 (T) 位点。本研究中发现的一氢化物被归类为一个新类别：“由BCC固溶体形成的氯化钠型一氢化物”。 (C) 2001 Elsevier Science B.V. 保留所有权利。
We investigated the crystal structures of two hydrides formed from a BCC solid solution alloy Ti1.0V1.1Mn0.9 by means of neutron and X-ray powder diffraction. The mono-hydride (Ti1.0V1.1Mn0.9)D-2.0 has a pseudo-cubic NaCl structure. The lattice constants are a' = 0.41278(4) nm and c' = 0.37685(6) nm, where the c'-axis is 9% shorter than the a'-axis. In this phase the hydrogen atoms occupy octahedral (O) sites surrounded by six metal atoms. The di-hydride (Ti1.0V1.1Mn0.9)D-5.4 has the CaF2 structure (a = 0.431935(5) nm) with hydrogen atoms occupying tetrahedral (T) sites. The mono-hydride found in this study is classified into a new category: "a NaCl-type mono-hydride formed from BCC solid solution". (C) 2001 Elsevier Science B.V. All rights reserved.