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Crystal structure of the thortveitite-related M phase, (MnxZn1-x)2V2O7 (0.75 < x < 0.913): a combined synchrotron powder and single-crystal X-ray study.

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

Knowles, Kevin M 
Sil, Anjan 
Stöger, Berthold 

Abstract

The determination of the crystal structure of the M phase, (MnxZn1-x)2V2O7 (0.75 < x < 0.913), in the pseudobinary Mn2V2O7-Zn2V2O7 system for x ≃ 0.8 shows that the previously published triclinic unit-cell parameters for this thortveitite-related phase do not describe a true lattice for this phase. Instead, single-crystal X-ray data and Rietveld refinement of synchrotron X-ray powder data show that the M phase has a different triclinic structure in the space group P-1 with Z = 2. As prior work has suggested, the crystal structure can be described as a distorted version of the thortveitite crystal structure of β-Mn2V2O7. A twofold superstructure in diffraction patterns of crystals of the M phase used for single-crystal X-ray diffraction work arises from twinning by reticular pseudomerohedry. This superstructure can be described as a commensurate modulation of a pseudo-monoclinic basis structure closely related to the crystal structure of β-Mn2V2O7. In comparison with the distortions introduced when β-Mn2V2O7 transforms at low temperature to α-Mn2V2O7, the distortions which give rise to the M phase from the β-Mn2V2O7 prototype are noticeably less pronounced.

Description

Keywords

crystal structure, manganese zinc divanadate, powder diffraction, superstructure, synchrotron, thortveitite, twinning

Journal Title

Acta Crystallogr C Struct Chem

Conference Name

Journal ISSN

2053-2296
2053-2296

Volume Title

74

Publisher

International Union of Crystallography (IUCr)
Sponsorship
British Council in India (IND/CONT/07-08/E/180)
Royal Society (unknown)
Funding for this research was provided by: Royal Society (joint international exchange programme award to Anjan Sil); British Council, New Delhi (UKIERI project No. SA07-0052 to Kevin Knowles, Anjan Sil).