CaltechAUTHORS
  A Caltech Library Service

X-ray structure refinement of CsHSO_4 in phase II

Chisholm, Calum R. I. and Haile, Sossina M. (2000) X-ray structure refinement of CsHSO_4 in phase II. Materials Research Bulletin , 35 (7). pp. 999-1005. ISSN 0025-5408. http://resolver.caltech.edu/CaltechAUTHORS:20131125-162531192

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20131125-162531192

Abstract

An accurate room temperature structure refinement of CsHSO_4 in phase II, the thermodynamically stable phase at temperatures below 414 K, is reported. The compound is monoclinic, space group P2_1/c, with lattice parameters a = 7.781(2), b = 8.147(2), c = 7.722(2) Å, and β = 110.78(1) °, as determined by single crystal X-ray diffraction. There are four formula units per unit cell and seven atoms in the asymmetric unit. The compound, comprised of zigzag chains of SO_4 groups alternating with zigzag rows of Cs atoms, is isostructural to CsDSO_4 A.V. Belushkin, W.I.F. David, R.M. Ibberson, L.A. Shuvalov, Acta Crystallogr. B 47 (1991) 161-166. The single, crystallographically distinct proton forms a "symmetry-free" hydrogen bond between O(1) and O(2). The S-O bond lengths are consistent with the presence of this bond. The hydrogen bond geometries in the protonated and deuterated compounds are within experimental error of one another, after taking due account of the difference in proton (or deuterium atom) positions as measured by X-ray and neutron diffraction.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/S0025-5408(00)00301-9DOIArticle
http://www.sciencedirect.com/science/article/pii/S0025540800003019PublisherArticle
ORCID:
AuthorORCID
Haile, Sossina M.0000-0002-5293-6252
Additional Information:Copyright © 2000 Elsevier Science. Received 18 January 2000. Accepted 18 January 2000. Available online 2 October 2000.
Subject Keywords:inorganic compounds X-ray diffraction crystal structure ionic conductivity phase transitions CSHSEO4 WATER
Record Number:CaltechAUTHORS:20131125-162531192
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20131125-162531192
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:42711
Collection:CaltechAUTHORS
Deposited By: Jonathan Gross
Deposited On:02 Dec 2013 20:48
Last Modified:16 Sep 2015 02:04

Repository Staff Only: item control page