Topic
Molecular geometry
About: Molecular geometry is a research topic. Over the lifetime, 8246 publications have been published within this topic receiving 170635 citations. The topic is also known as: molecular structure.
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TL;DR: In this article, the Fourier transform of the structure has been calculated, and comparison with the X-ray data described in Part I shows that the model needs modifying, and various models were built and adjusted until reasonable agreement was obtained between the Fouriers transform, averaged by rotation about the helix axis, and the observed 2D intensity data.
414 citations
TL;DR: In this paper, the crystal structure of sintered β-tricalcium phosphate, Ca3(PO4)2, was refined using a high-resolution neutron powder diffraction data and the Rietveld method.
413 citations
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01 Jan 1991TL;DR: In this article, the compatibility of a structure with the electron-pair repulsion model was tested by examining the variations of all angles of all electron pairs in the valence shell.
Abstract: The valence shell electron-pair repulsion model successfully accounts for geometrical variations in extensive classes of compounds. According to its basic postulate the geometry of a molecule is determined by the space requirements of all electron pairs in the valence shell of the central atom. The compatibility of a structure with this model must be tested by examining the variations of all angles of all electron pairs in the valence shell.
407 citations
TL;DR: In this paper, the atomic structure of the potential photovoltaic materials Cu 2 ZnSnS 4 (CZTS) and CZTSe 4 was discussed on the basis of a structural analysis of neutron powder diffraction data refined by the Rietveld analysis.
385 citations
TL;DR: The crystal structure of LiBH4 has been studied by synchrotron X-ray powder diffraction at room temperature and at 408 K at T =408 K.
382 citations