Electron Charge Density Study on the Bonding Nature in MoO_3
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概要
- 論文の詳細を見る
The accurate electron charge density distributions of MoO_3 have been investigated by analyzing the synchrotron radiation X-ray powder diffraction data using the MEM (Maximum Entropy Method)/Rietveld method. The covalent bonding is observed only on the five Mo-O bonds, while six O atoms surround the Mo atom. Turning attention to the covalent bonding network, the crystal structure of MoO_3 is regarded as a two-dimensional mono-layer structure consisting of the distorted Mo-O_5 pyramids. The ionic state of the Mo atom is estimated to be +3.0(1) and those of three 0 atoms are -1.6(1), -0.7(1), -0.8(1) by counting number of electrons around these atoms, which coincide with the results of theoretical studies.
- 社団法人日本物理学会の論文
- 2003-11-15
著者
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澤田 昭勝
岡山大理
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Sato N
Okayama Univ. Okayama
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Noguchi S
Department Of Physics And Electronics Osaka Prefecture University
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Sato Noriaki
Graduate School Of Science Tohoku University
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Sato N
Physics Department Graduate School Of Science Tohoku University
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KUROIWA Yoshihiro
Department of Physics, Okayama University
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SAWADA Akikatsu
Department of Physics, Okayama University
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SATO Nobufumi
Department of Physics, Okayama University
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NEGISHI Saiko
Graduate School of Advanced Sciences of Matter, Hiroshima University
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NEGISHI Hiroshi
Graduate School of Advanced Sciences of Matter, Hiroshima University
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AOYAGI Shinobu
Japan Synchrotron Radiation Research Institute (JASRI)
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Aoyagi S
Department Of Applied Physics Nagoya University
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Negishi H
Graduate School Of Advanced Sciences Of Matter Hiroshima University
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Negishi H
Hiroshima Univ. Higashi Hiroshima Jpn
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Negishi Hiroshi
Graduate School Of Advanced Sciences Of Matter Hiroshima University
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Negishi Hiroshi
Department Of Materials Science Fasulty Of Science Hiroshima University
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Sato N
Kyoto Univ. Kyoto Jpn
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Sawada A
Muroran Inst. Technology Muroran
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Sakai A
Muroran Inst. Technol. Muroran
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Sato N
Graduste School Of Science Tohoku University
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Sato N
Japan Meteorological Agency Tokyo Jpn
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Negishi S
Graduate School Of Advanced Sciences Of Matter Hiroshima University
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Kuroiwa Yoshihiro
Department Of Physice Faculty Of Science Okayama University
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Sawada Akikatsu
Department Of Applied Physics Faculty Of Engineering Nagoya University:(present Address)synthetic Cr
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Sato Nobufumi
Department Of Physics Okayama University
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KUROIWA Yoshihiro
Department of Physical Science, Hiroshima University
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