Abstract
We investigated the crystal structures of two hydrides formed from a BCC solid solution alloy Ti 1.0V 1.1Mn 0.9 by means of neutron and X-ray powder diffraction. The mono-hydride (Ti 1.0V 1.1Mn 0.9)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 (Ti 1.0V 1.1Mn 0.9)D 5.4 has the CaF 2 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”.
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