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Pyrite-type silicon diphosphide p-SiP2: Structural parameters and valence electron density distribution
Chemistry and structural chemistry of phosphides and polyphosphides, 31 [20]
Published/Copyright:
August 25, 2010
Abstract
X-ray diffraction (293 K) and neutron diffraction (60, 120, 293 K) data have been measured from SiP2 single crystal. The lattice constants, interatomic distances and temperature parameters of Si and P atoms vary linearly in the range 60 K to 293 K. The change of the P – P bond length is very small (2.156 Å – 2.159 Å). The vibrational amplitude of the Si atom becomes 10% larger than that of the P atom at 293 K. The deformation densities ϱX – N and ϱX – X) shows a strong bonding electron density (0.65e Å−3) at the centre of the P2 pairs. There is a small electron density maximum (0.2 e Å−3) in the Si – P bond region but not located on the Si – P straight line. The results have been compared with that obtained in FeS2 and MnS2.
Published Online: 2010-08-25
Published in Print: 1984
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Articles in the same Issue
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- Molecular and crystal structure of C.I. Pigment Yellow 1. 11680, N-Phenyl-2-(4-methyl-2-nitro-phenyl-hydrazono)-3-oxo-butyramide (Hansagelb G)
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