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The structure, thermal properties and phase transformations of the cubic polymorph of magnesium tetrahydroborate

The structure of the cubic polymorph of magnesium tetrahydroborate (-Mg(BH 4 ) 2 ) has been determined in space group I a 3 d from a structural database of the isoelectronic compound SiO 2 ; this has been corroborated by DFT calculations. The structure is found to concur with that recently determine... Full description

Journal Title: Physical Chemistry Chemical Physics 2012, Vol.14(33), pp.11800-11807
Main Author: David, W. I. F.
Other Authors: Callear, S. K. , Jones, M. O. , Aeberhard, P. C. , Culligan, S. D. , Pohl, A. H. , Johnson, S. R. , Ryan, K. R. , Parker, J. E. , Edwards, P. P. , Nuttall, C. J. , Amieiro-fonseca, A.
Format: Electronic Article Electronic Article
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ID: ISSN: 1463-9076 ; E-ISSN: 1463-9084 ; DOI: 10.1039/c2cp23439d
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recordid: rscc2cp23439d
title: The structure, thermal properties and phase transformations of the cubic polymorph of magnesium tetrahydroborate
format: Article
creator:
  • David, W. I. F.
  • Callear, S. K.
  • Jones, M. O.
  • Aeberhard, P. C.
  • Culligan, S. D.
  • Pohl, A. H.
  • Johnson, S. R.
  • Ryan, K. R.
  • Parker, J. E.
  • Edwards, P. P.
  • Nuttall, C. J.
  • Amieiro-fonseca, A.
subjects:
  • Databases
  • Decomposition
  • Diffraction
  • Int
  • Magnesium
  • Phase Transformations
  • Synchrotrons
  • X-Rays
  • Miscellaneous Sciences (So)
ispartof: Physical Chemistry Chemical Physics, 2012, Vol.14(33), pp.11800-11807
description: The structure of the cubic polymorph of magnesium tetrahydroborate (-Mg(BH 4 ) 2 ) has been determined in space group I a 3 d from a structural database of the isoelectronic compound SiO 2 ; this has been corroborated by DFT calculations. The structure is found to concur with that recently determined by Filinchuk et al. (Y. Filinchuk, B. Richter, T. R. Jensen, V. Dmitriev, D. Chernyshov and H. Hagemann, Angew. Chem. Int. Ed. , 2011, DOI: 10.1002/anie.201100675). The phase transformations and subsequent decomposition of -Mg(BH 4 ) 2 on heating have been ascertained from variable-temperature synchrotron X-ray diffraction data combined with thermogravimetric and mass spectrometry measurements. At 160 C, conversion to a disordered variant of the -Mg(BH 4 ) 2 phase (denoted as ) is observed along with a further unidentified polymorph. There is evidence of amorphous phases during decomposition but there is no direct crystallographic indication of the existence of Mg(B 12 H 12 ) or other intermediate MgBH compounds. MgH 2 and finally Mg are observed in the X-ray diffraction data after decomposition.
language:
source:
identifier: ISSN: 1463-9076 ; E-ISSN: 1463-9084 ; DOI: 10.1039/c2cp23439d
fulltext: fulltext
issn:
  • 1463-9076
  • 1463-9084
  • 14639084
  • 14639076
url: Link


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titleThe structure, thermal properties and phase transformations of the cubic polymorph of magnesium tetrahydroborate
creatorDavid, W. I. F. ; Callear, S. K. ; Jones, M. O. ; Aeberhard, P. C. ; Culligan, S. D. ; Pohl, A. H. ; Johnson, S. R. ; Ryan, K. R. ; Parker, J. E. ; Edwards, P. P. ; Nuttall, C. J. ; Amieiro-fonseca, A.
ispartofPhysical Chemistry Chemical Physics, 2012, Vol.14(33), pp.11800-11807
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descriptionThe structure of the cubic polymorph of magnesium tetrahydroborate (-Mg(BH 4 ) 2 ) has been determined in space group I a 3 d from a structural database of the isoelectronic compound SiO 2 ; this has been corroborated by DFT calculations. The structure is found to concur with that recently determined by Filinchuk et al. (Y. Filinchuk, B. Richter, T. R. Jensen, V. Dmitriev, D. Chernyshov and H. Hagemann, Angew. Chem. Int. Ed. , 2011, DOI: 10.1002/anie.201100675). The phase transformations and subsequent decomposition of -Mg(BH 4 ) 2 on heating have been ascertained from variable-temperature synchrotron X-ray diffraction data combined with thermogravimetric and mass spectrometry measurements. At 160 C, conversion to a disordered variant of the -Mg(BH 4 ) 2 phase (denoted as ) is observed along with a further unidentified polymorph. There is evidence of amorphous phases during decomposition but there is no direct crystallographic indication of the existence of Mg(B 12 H 12 ) or other intermediate MgBH compounds. MgH 2 and finally Mg are observed in the X-ray diffraction data after decomposition.
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titleThe structure, thermal properties and phase transformations of the cubic polymorph of magnesium tetrahydroborate
descriptionThe structure of the cubic polymorph of magnesium tetrahydroborate (-Mg(BH 4 ) 2 ) has been determined in space group I a 3 d from a structural database of the isoelectronic compound SiO 2 ; this has been corroborated by DFT calculations. The structure is found to concur with that recently determined by Filinchuk et al. (Y. Filinchuk, B. Richter, T. R. Jensen, V. Dmitriev, D. Chernyshov and H. Hagemann, Angew. Chem. Int. Ed. , 2011, DOI: 10.1002/anie.201100675). The phase transformations and subsequent decomposition of -Mg(BH 4 ) 2 on heating have been ascertained from variable-temperature synchrotron X-ray diffraction data combined with thermogravimetric and mass spectrometry measurements. At 160 C, conversion to a disordered variant of the -Mg(BH 4 ) 2 phase (denoted as ) is observed along with a further unidentified polymorph. There is evidence of amorphous phases during decomposition but there is no direct crystallographic indication of the existence of Mg(B 12 H 12 ) or other intermediate MgBH compounds. MgH 2 and finally Mg are observed in the X-ray diffraction data after decomposition.
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abstractThe structure of the cubic polymorph of magnesium tetrahydroborate (-Mg(BH 4 ) 2 ) has been determined in space group I a 3 d from a structural database of the isoelectronic compound SiO 2 ; this has been corroborated by DFT calculations. The structure is found to concur with that recently determined by Filinchuk et al. (Y. Filinchuk, B. Richter, T. R. Jensen, V. Dmitriev, D. Chernyshov and H. Hagemann, Angew. Chem. Int. Ed. , 2011, DOI: 10.1002/anie.201100675). The phase transformations and subsequent decomposition of -Mg(BH 4 ) 2 on heating have been ascertained from variable-temperature synchrotron X-ray diffraction data combined with thermogravimetric and mass spectrometry measurements. At 160 C, conversion to a disordered variant of the -Mg(BH 4 ) 2 phase (denoted as ) is observed along with a further unidentified polymorph. There is evidence of amorphous phases during decomposition but there is no direct crystallographic indication of the existence of Mg(B 12 H 12 ) or other intermediate MgBH compounds. MgH 2 and finally Mg are observed in the X-ray diffraction data after decomposition.
doi10.1039/c2cp23439d
pages11800-11807
date2012-08-01