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  Crystal Structure and Electronic Structure of Red SnO

Köhler, J., Tong, J. W., Dinnebier, R. E., & Simon, A. (2012). Crystal Structure and Electronic Structure of Red SnO. Zeitschrift für anorganische und allgemeine Chemie, 638, 1970-1975.

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 Creators:
Köhler, J.1, 2, Author           
Tong, J. W., Author
Dinnebier, R. E.3, Author           
Simon, A.1, Author           
Affiliations:
1Former Departments, Max Planck Institute for Solid State Research, Max Planck Society, ou_3370502              
2Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370482              
3Scientific Facility X-Ray Diffraction (Robert E. Dinnebier), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370494              

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 Abstract: Pigeon blood red powder samples of SnO were synthesized via a soft chemistry route. A precipitate was obtained from a freshly prepared SnCl2 solution containing phosphorus acid by adding ammonia until a pH value of 4.9 is reached. Heating of the mixture at 95 degrees leads after 5 d to microcrystalline powders of red SnO. The crystal structure was solved and refined from X-ray powder diffraction data (Cmc21; a = 5.0045(3) angstrom, b = 5.7457(3) angstrom, c = 11.0485(5) angstrom, Z = 8). Red SnO crystallizes in a new structure type. Characteristic building units are double layers of tin and oxygen atoms. The tin atoms are surrounded by four oxygen atoms with distances ranging from 2.04 angstrom to 2.67 angstrom, and the highly asymmetric coordination around the Sn2+ ions indicates the presence of a stereochemically active lone pair. LMTO band structure calculations show that the red modification of SnO is an insulator. The electronic structures of red SnO and the zero band gap semiconductor black SnO are compared. The lone pairs of the tin atoms are visualized via the electron localization function.

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Language(s): eng - English
 Dates: 2012
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: eDoc: 632947
ISI: 000309907700009
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Title: Zeitschrift für anorganische und allgemeine Chemie
Source Genre: Journal
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Pages: - Volume / Issue: 638 Sequence Number: - Start / End Page: 1970 - 1975 Identifier: ISSN: 0044-2313