English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Zintl-Phase Sr3 LiAs2 H: Crystal Structure and Chemical Bonding Analysis by the Electron Localizability Approach.

Feng, X.-J., Prots, Y., Bobnar, M., Schmidt, M. P., Schnelle, W., Zhao, J.-T., et al. (2015). Zintl-Phase Sr3 LiAs2 H: Crystal Structure and Chemical Bonding Analysis by the Electron Localizability Approach. Chemistry – A European Journal, 21(41), 14471-14477. doi:10.1002/chem.201501236.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-F435-B Version Permalink: http://hdl.handle.net/21.11116/0000-0001-17F2-4
Genre: Journal Article

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Feng, Xian-Juan1, Author              
Prots, Yurii2, Author              
Bobnar, Matej1, Author              
Schmidt, Marcus Peter3, Author              
Schnelle, Walter4, Author              
Zhao, Jing-Tai5, Author
Grin, Yuri6, 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              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5External Organizations, ou_persistent22              
6Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

Content

show
hide
Free keywords: -
 Abstract: The compound Sr3 LiAs2 H was synthesized by reaction of elemental strontium, lithium, and arsenic, as well as LiH as hydrogen source. The crystal structure was determined by single-crystal X-ray diffraction: space group Pnma; Pearson symbol oP28; a=12.0340(7), b=4.4698(2), c=12.5907(5) A; V=677.2(1) A(3) ; RF =0.047 for 1021 reflections and with 36 parameters refined. The positions of the hydrogen atoms were first revealed by the electron localizability indicator and subsequently confirmed by crystal structure refinement. In the crystal structure of Sr3 LiAs2 H the metal atoms are arranged in a Gd3 NiSi2 -type motif, whereas the hydrogen atoms are arranged in a distorted tetrahedral environment formed by strontium. The calculated band structure revealed that Sr3 LiAs2 H is a semiconductor, which is in agreement with its diamagnetic behavior. Thus, Sr3 LiAs2 H is considered as a (charge-balanced) Zintl phase.

Details

show
hide
Language(s): eng - English
 Dates: 2015-08-182015-08-18
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 26291332
DOI: 10.1002/chem.201501236
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: - Volume / Issue: 21 (41) Sequence Number: - Start / End Page: 14471 - 14477 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058