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要旨:
The compound Sr3 LiAs2 H was synthesized by reaction of elemental
strontium, lithium, and arsenic, as well as LiH as hydrogen source. The
crystal structure was determined by single-crystal X-ray diffraction:
space group Pnma; Pearson symbol oP28; a=12.0340(7), b=4.4698(2),
c=12.5907(5) A; V=677.2(1) A(3) ; RF =0.047 for 1021 reflections and
with 36 parameters refined. The positions of the hydrogen atoms were
first revealed by the electron localizability indicator and subsequently
confirmed by crystal structure refinement. In the crystal structure of
Sr3 LiAs2 H the metal atoms are arranged in a Gd3 NiSi2 -type motif,
whereas the hydrogen atoms are arranged in a distorted tetrahedral
environment formed by strontium. The calculated band structure revealed
that Sr3 LiAs2 H is a semiconductor, which is in agreement with its
diamagnetic behavior. Thus, Sr3 LiAs2 H is considered as a
(charge-balanced) Zintl phase.
