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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >M2B5 or M2B4 reinvestigation of the Mo/B and W/B system
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M2B5 or M2B4 reinvestigation of the Mo/B and W/B system

机译：Mo / B和W / B系统的M2B5或M2B4重新调查

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摘要

The literature states different compositions (M/B = 1:2 vs. 2:5) and structures for diborides of molybdenum and tungsten. Using X-ray and neutron powder diffraction as well as energy and wavelength dispersive electron microprobe analysis, the Mo/B and W/B systems were now reinvestigated. Molybdenum diboride crystallizes as a stoichiometric compound Mo2B4 (formerly described as Mo2B5) in space group Rim (No. 166, a, b = 3.01375(2) angstrom, c = 20.9541(3) angstrom), and as a non-stoichiometric compound MoB2-x, (formerly described as MoB2) in P6/mmm (No. 191, a, b = 3.043(2) angstrom, c = 3.067(2) angstrom), whereas stoichiometric tungsten diboride W2B4 (formerly described as W2B5) is found to crystallize in space group P63/mmc (No. 194, a, b = 2.9864(4) angstrom, c = 13.896(2) angstrom). These results seem to be supported by DFT calculations which show the instability of a hypothetic W2B5.
机译：文献陈述了钼和钨的二硼化物的不同组成（M / B = 1：2 vs. 2：5）。使用X射线和中子粉末衍射以及能量和波长色散电子探针分析，现在对Mo / B和W / B系统进行了重新研究。二硼化钼在空间群Rim（编号166，a，b = 3.01375（2）埃，c = 20.9541（3）埃）中以化学计量的化合物Mo2B4（以前称为Mo2B5）结晶，并以非化学计量的化合物MoB2结晶-x（以前称为MoB2），单位为P6 / mmm（编号191，a，b = 3.043（2）埃，c = 3.067（2）埃），而发现化学计量的二硼化钨W2B4（以前称为W2B5）在空间群P63 / mmc中结晶（No. 194，a，b = 2.9864（4）埃，c = 13.896（2）埃）。这些结果似乎得到了DFT计算的支持，该计算表明了假想W2B5的不稳定性。

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