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  Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs

Feng, X.-J., Prots, Y., Schmidt, M. P., Hoffmann, S., Veremchuk, I., Schnelle, W., et al. (2013). Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs. Inorganic Chemistry, 52(15), 8971-8978. doi:10.1021/ic401166v.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-BF6B-6 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-BAFA-A
Genre: Journal Article

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 Creators:
Feng, Xian-Juan1, Author              
Prots, Yurii2, Author              
Schmidt, Marcus Peter3, Author              
Hoffmann, Stefan4, Author              
Veremchuk, Igor5, Author              
Schnelle, Walter6, Author              
Burkhardt, Ulrich7, Author              
Zhao, Jing-Tai8, Author
Grin, Yuri9, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
3Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863415              
4Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
5Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863411              
6Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
7Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
8External Organizations, ou_persistent22              
9Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: Two atomic arrangements were found near the equiatomic composition in the strontium-lithium-arsenic system. Orthorhombic o-SrLiAs was synthesized by reaction of elemental components at 950 degrees C, followed by annealing at 800 degrees C and subsequent quenching in water. The hexagonal modification h-SrLi1-xAs was obtained from annealing of o-SrLiAs at 550 degrees C in dynamic vacuum. The structures of both phases were determined by single-crystal X-ray diffraction: o-SrLiAs, structure type TiNiSi, space group Pnma, Pearson symbol oP12, a = 7.6458(2) angstrom, b = 4.5158(1) angstrom, c = 8.0403(3) angstrom, V = 277.61(2) angstrom(3), R-F = 0.028 for 558 reflections; h-SrLi1-xAs, structure type ZrBeSi, space group P6(3)/mmc, Pearson symbol hP6, a = 4.49277(9) angstrom, c = 8.0970(3) angstrom, V = 141.54(1) angstrom(3), R-F = 0.026 for 113 reflections. The analysis of the electron density within the framework of the quantum theory of atoms in molecules revealed a charge transfer according to the (Sr1.3+Li0.8+As2.1), in agreement with the electronegativities of the individual elements. The electron localizability indicator distribution indicated the formation of a 3D anionic framework [LiAs] in o-SrLiAs and a rather 2D anionic framework [LiAs] in h-SrLi1-xAs. Magnetic susceptibility measurements point to a diamagnetic character of both phases, which verifies the calculated electronic density of states.

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Language(s): eng - English
 Dates: 2013-07-17
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000322863300080
DOI: 10.1021/ic401166v
 Degree: -

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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 52 (15) Sequence Number: - Start / End Page: 8971 - 8978 Identifier: ISSN: 0020-1669
CoNE: /journals/resource/0020-1669