Structure of the High Pressure Phase γ-MgH2 by Neutron Powder Diffraction.
Structure of the High Pressure Phase γ-MgH2 by Neutron Powder Diffraction.
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通过中子粉末衍射研究高压相 γ-MgH2 的结构。
DOI：
10.1002/chin.199932006
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发表时间：
1999
期刊：
影响因子：
--
通讯作者：
K. Yvon
中科院分区：
文献类型：
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作者：
M. Bortz;B. Bertheville;G. Boettger;K. Yvon
在多面顶压机中，将低压相γ-MgH_2在2 Gpa压力下加热至1070K，保温120min，然后连续快速淬火，形成了高压相α-MgH_2。室温下对氢化物的X射线和中子粉末衍射研究表明，它具有正交α-PbO2结构(空间群Pbcn，Z=4，a=4.5213(3)，b=5.4382(3)，c=4.9337(3)；a=4.5056(3)，b=5.4212(3)，c=4.9183(3)(氢化物))。氢原子以扭曲的八面体构型围绕在镁周围，键距mg-D分别为1.915(3)，1.943(3)和2.004(3)。对α-MgH_2的金红石结构进行了重新评价。
The high-pressure phase γ-MgH2was formed by heating the low-pressure phase α-MgH2in a multianvil press at 2 GPa pressure to 1070 K for 120 min and successive rapid quenching. Investigation by X-ray and neutron powder diffraction on the deuteride at ambient conditions revealed that it crystallises with the orthorhombic α-PbO2type structure (space group Pbcn, Z=4, a=4.5213(3), b=5.4382(3), c=4.9337(3) Å (hydride); a=4.5056(3), b=5.4212(3), c=4.9183(3) Å (deuteride) at T=295 K). The deuterium atoms surround magnesium in a distorted octahedral configuration with bond distances Mg–D=1.915(3), 1.943(3) and 2.004(3) Å. The rutile structure of α-MgH2was re-evaluated.