Quick
Search: 		  
advanced search
 GSW Home   GeoRef Home   My GSW Alerts   Contact GSW   About GSW   Journals List   Help 
American Mineralogist Signup for GSW Email News
JOURNAL HOME HELP CONTACT PUBLISHER SUBSCRIBE ARCHIVE SEARCH TABLE OF CONTENTS
American Mineralogist; October 1997; v. 82; no. 9-10; p. 841-848
This Article
Right arrow Alert me when this article is cited
Right arrow Alert me if a correction is posted
Services
Right arrow Email this article to a friend
Right arrow Similar articles in this journal
Right arrow Alert me to new issues of the journal
Right arrow Download to citation manager
Right arrow Order Hardcopy of Full Text via AGI/GeoRef
Citing Articles
Right arrow Citing Articles via HighWire
Right arrow Citing Articles via Google Scholar
Google Scholar
Right arrow Articles by Nyfeler, D.
Right arrow Articles by Libowitzky, E.
Right arrow Search for Related Content
GeoRef
Right arrow GeoRef Citation

Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMn (super 3+) O[SiO 3 OH]; a single-crystal X-ray, FTIR, and structure modeling study

Daniel Nyfeler, Christina Hoffmann, Thomas Armbruster, Martin Kunz, and Eugen Libowitzky

Universitat Bern, Laboratorium fur chemische und mineralogische Kristallographie, Bern, Switzerland

The structure of mozartite, CaMn (super 3+) O[SiO 3 OH], was refined in space group P2 1 2 1 2 1 from X-ray single-crystal data collected at 100 K (R = 2.45%, Rw = 2.62%), 300 K (R = 2.60%, Rw = 2.68%), and 500 K (R = 2.79%, Rw = 2.81%). The Mn (super 3+) O 6 octahedron shows approximately orthorhombic geometry, which is explained by a combination of a tetragonally compressed Jahn-Teller effect with lattice-induced stress. Comparison with isostructural vuagnatite. CaAl(OH)SiO 4 , which shows no distortions due to electronic effects, indicates that the distorted octahedral geometry in mozartite causes shifts in valence sums of the O atoms that are hydrogen bonded. As a result, the OH group in mozartite is located at the isolated SiO 4 apex and is not linked to the octahedron as reported for isostructural minerals. Isostructural minerals of the adelite group with tetrahedral As (super 5+) and V (super 5+) exhibit a different Jahn-Teller distortion with tetragonally elongated geometry for octahedral Cu (super 2+) O 6 . The O-H...O distance of <2.5 Aa in mozartite is one of the shortest hydrogen bonded O...O distances in minerals and leads to a diffuse FTIR absorption peak (stretching mode) polarized parallel to b between 1300 and 1700 cm (super -1) .

This record provided courtesy of AGI/GeoRef.




This article has been cited by other articles:


Home page
 Eur J MineralHome page
R. Krickl and M. Wildner
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds. Part II: Spectroscopic studies
European Journal of Mineralogy, January 1, 2009; 21(1): 65 - 78.
[Abstract] [Full Text] [PDF]

Home page
 American MineralogistHome page
M. Nagashima, N.-S. Rahmoun, E. V. Alekseev, C. A. Geiger, T. Armbruster, and M. Akasaka
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite
American Mineralogist, November 1, 2008; 93(11-12): 1851 - 1857.
[Abstract] [Full Text] [PDF]

Home page
 Eur J MineralHome page
R. Krickl and M. Wildner
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite the shortest known hydrogen bonds among mineral-type compounds Part I: Single-crystal X-ray structures
European Journal of Mineralogy, December 1, 2007; 19(6): 805 - 816.
[Abstract] [Full Text] [PDF]

Home page
 ajsHome page
L. Nasdala, A. Beran, E. Libowitzky, and D. Wolf
The Incorporation of Hydroxyl Groups and Molecular Water in Natural Zircon (ZrSiO4)
Am J Sci, December 1, 2001; 301(10): 831 - 857.
[Abstract] [Full Text] [PDF]


JOURNAL HOME HELP CONTACT PUBLISHER SUBSCRIBE ARCHIVE SEARCH TABLE OF CONTENTS
Copyright © 2009 by Mineralogical Society of America