| EXPERIMENTAL ELECTRON DENSITY ANALYSIS OF MILLERITE |
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| 作者姓名： | 竺迺珏 梁丽 施倪承 |
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| 作者单位： | Institute of Chemistry，Academia Sinica Beijing 100080 PRC，Institute of Biophysics，Academia Sinica，Beijing 100080，PRC，China University of Geosciences，Beijing 100083，PRC |
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| 摘 要： | The millerite is of mineral--crystallographic and structure-chemical interest because ofits unusual coordinate number and distances. The experimental electron density distributionof millerite has been determined from high resolution X--ray diffraction data. According tothe distribution of lone pair electrons and their long distances from the nucleus of Ni andS atoms, we suggest that there are multiple coordinate bonding between Ni and S atoms andnormal coordinate bonding between Ni and Ni atoms. These are in reasonable agreement withthe unusual coordinate number, distorted coordinate polyhedron, bonding distances betweenatoms and some metallic properties of millerite.
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EXPERIMENTAL ELECTRON DENSITY ANALYSIS OF MILLERITE |
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| ZHU NAI-JUE,LIANG LI,SHI NI-CHENG Institute of Chemistry,Academia Sinica.EXPERIMENTAL ELECTRON DENSITY ANALYSIS OF MILLERITE[J].Science in China(Chemistry),1992(9). |
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| Authors: | ZHU NAI-JUE LIANG LI SHI NI-CHENG Institute of Chemistry Academia Sinica |
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| Institution: | ZHU NAI-JUE,LIANG LI,SHI NI-CHENG Institute of Chemistry,Academia Sinica,Institute of Biophysics,Academia Sinica,Beijing 100080,PRC Beijing 100080,PRC China University of Geosciences,Beijing 100083,PRC |
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| Abstract: | The millerite is of mineral--crystallographic and structure-chemical interest because of
its unusual coordinate number and distances. The experimental electron density distribution
of millerite has been determined from high resolution X--ray diffraction data. According to
the distribution of lone pair electrons and their long distances from the nucleus of Ni and
S atoms, we suggest that there are multiple coordinate bonding between Ni and S atoms and
normal coordinate bonding between Ni and Ni atoms. These are in reasonable agreement with
the unusual coordinate number, distorted coordinate polyhedron, bonding distances between
atoms and some metallic properties of millerite. |
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| Keywords: | millerite chemical bond valence electron density distribution |
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