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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Structural studies of deuterides of yttrium carbide
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Structural studies of deuterides of yttrium carbide

机译：碳化钇氘核的结构研究

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摘要

The yttrium carbide Y_2C and two related deuterides Y_2CD_(2.55) and Y_2CD_(2.0), were studied by powder neutron and synchrotron X-ray diffraction. During deuteration the Y sublattice undergoes a transformation from cubic (ABCA...) to the hexagonal (ABA...) close packing of the Y layers. Carbon atoms orderly occupy each second of the available Y_6 octahedra, both in the initial carbide and in the deuterides. The Y-Y distances in the C-occupied octahedra are considerably shorter than in the empty ones. In the saturated deuteride, Y_2CD_(2.55), D atoms occupy three different sites, including Y_4 tetrahedra and two types of Y_6 octahedra. On a transition to the lower deuteride Y_2CD_(2.0), deuterium is completely removed from both types of octahedra leaving completely occupied Y_4 sites. The latter transformation is accompanied by lattice expansion.
机译：用粉末中子和同步加速器X射线衍射研究了碳化钇Y_2C和两个相关的氘代Y_2CD_（2.55）和Y_2CD_（2.0）。在氘化过程中，Y亚晶格经历了Y层从立方（ABCA ...）到六角形（ABA ...）紧密堆积的转变。碳原子在初始碳化物和氘化物中有序地占据了可用的Y_6八面体的每一秒。 C占用的八面体的Y-Y距离比空八面体的Y-Y距离短得多。在饱和氘核Y_2CD_（2.55）中，D原子占据三个不同的位置，包括Y_4四面体和两种类型的Y_6八面体。在过渡到较低的氘代Y_2CD_（2.0）时，氘从两种八面体中完全去除了，剩下了完全占据的Y_4位。后者的转变伴随着晶格膨胀。

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