Crystal Structure Refinement of M(NCNH)2 (M = Fe, Co) Based on Combined Neutron and X-ray Diffraction Data†
Crystal Structure Refinement of M(NCNH)2 (M = Fe, Co) Based on Combined Neutron and X-ray Diffraction Data†
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基于组合中子和 X 射线衍射数据的 M(NCNH)2 (M = Fe, Co) 晶体结构细化†
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
R. Dronskowski
中科院分区：
文献类型：
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作者：
Xiaojuan Tang;A. Houben;Xiaohui Liu;L. Stork;R. Dronskowski
Fe（NCNH）_2和Co（NCNH）_2的晶体结构与Ni（NCNH）_2是同类型的，用X射线和中子粉末衍射数据（SPODI，FRM II）相结合的方法进行了修正。在正交晶系Pnmm（no.58）中，Fe（NCNH）_2的晶格参数为a = 6.6655（7），B = 8.7923（8），c = 3.3304（3）A; Co（NCNH）_2的晶格参数为a = 6.5696（2），B = 8.8058（2），c = 3.2622（1）A。氢原子的位置已经清楚地确定了。
The crystal structures of Fe(NCNH)2 and Co(NCNH)2, isotypical with Ni(NCNH)2, have been refined by means of combined X-ray and neutron powder diffraction data (SPODI, FRM II). The lattice parameters are a = 6.6655(7), b = 8.7923(8), c = 3.3304(3) A for Fe(NCNH)2 and a = 6.5696(2), b = 8.8058(2), c = 3.2622(1) A for Co(NCNH)2 in the orthorhombic system Pnmm (no. 58). The positions of the hydrogen atoms have been clearly resolved.