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Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures

Published online by Cambridge University Press:  05 July 2018

W. A. Crichton ,
J. B. Parise ,
H. Müller ,
J. Breger ,
W. G. Marshall  and
M. D. Welch
W. A. Crichton*
Affiliation:
European Synchrotron Radiation Facility, B. P. 220, 38043 Grenoble cedex, France Department of Earth Sciences, University College London, London WC1E 6BT, UK
J. B. Parise
Affiliation:
Department of Chemistry, Department of Geosciences and Mineral Physics Institute, Stony Brook University, NY 11794-2100, USA
H. Müller
Affiliation:
European Synchrotron Radiation Facility, B. P. 220, 38043 Grenoble cedex, France
J. Breger
Affiliation:
Institut Laue Langevin, 38043 Grenoble cedex, France
W. G. Marshall
Affiliation:
ISIS Facility, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Harwell Oxford, Didcot, Oxfordshire OX11 0QX, UK
M. D. Welch
Affiliation:
Department of Mineralogy, The Natural History Museum, London SW7 5BD, UK
*
*E-mail: crichton@esrf.fr
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Abstract

Magnesium hydroxyfluoride, Mg(OH)F, has been synthesized by a subcritical hydrothermal route from a 1:1 molar mixture of brucite, Mg(OH)2, and sellaite, MgF2 with a rutile type structure, in excess water. Using a combination of synchrotron X-ray and time-of-flight neutron powder diffraction, the structure of Mg(OH)F has been solved in the diaspore space group Pnma with a = 10.116(3), b = 4.6888(10) and c = 3.0794(7) Å at ambient conditions. The most intense diffraction lines are [dobs (hkl) Iobs]: 2.291 (211) 10, 4.253 (101) 7, 1.747 (212) 7, 2.229 (401) 6 and 1.480 (610) (4) Å, with the largest d-spacing at 5.058 Å. Sharp infrared stretching bands are located at 3679 and 3645 cm–1, with a broader band at 3535 cm–1. The topology of the structure is intermediate between that of the OH and F endmembers, being derived through notional shearing nearly normal to the sheets of octahedra of the CdI2/Mg(OH)2-type structure. Further similar shearing at an interval 1/2a would lead to a Cd(OH)F-type structure, which is also related to the rutile structure type. The observations and model presented here indicate a close correlation between the structural properties of the endmembers and Mg(OH)F.

Keywords

Mg(OH)Fsellaitebrucitesynchrotron powder diffractionhydrothermal synthesisneutron powder diffractioncrystal structure
Type
Research Article
Information
Mineralogical Magazine , Volume 76 , Issue 1 , February 2012 , pp. 25 - 36
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2012

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Footnotes

†

Work carried out while on sabbatical at the ILL and ESRF

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