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Crystal structure of magnesium selenate heptahydrate, MgSeO7HO, from neutron time-of-flight data

Fortes, AD; Gutmann, MJ; (2014) Crystal structure of magnesium selenate heptahydrate, MgSeO7HO, from neutron time-of-flight data. Acta Crystallographica Section E: Structure Reports Online , 70 (9) 134 - 137. 10.1107/S1600536814018698. Green open access

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Abstract

MgSeO7HO is isostructural with the analogous sulfate, MgSO7HO, consisting of isolated [Mg(HO)]octahedra and [SeO]tetrahedra, linked by O - O hydrogen bonds, with a single interstitial lattice water molecule. As in the sulfate, the [Mg(HO)]coordination octahedron is elongated along one axis due to the tetrahedral coordination of the two apical water molecules; these have Mg - O distances of ∼2.10 Å, whereas the remaining four trigonally coordinated water molecules have Mg - O distances of ∼2.05 Å. The mean Se - O bond length is 1.641 Å and is in excellent agreement with other selenates. The unit-cell volume of MgSeO7HO at 10 K is 4.1% larger than that of the sulfate at 2 K, although this is not uniform; the greater part of the expansion is along the a axis of the crystal.

Type: Article
Title: Crystal structure of magnesium selenate heptahydrate, MgSeO7HO, from neutron time-of-flight data
Open access status: An open access version is available from UCL Discovery
DOI: 10.1107/S1600536814018698
Publisher version: http://dx.doi.org/10.1107/S1600536814018698
Language: English
Additional information: This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/1449266
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