eprintid: 1449266 rev_number: 29 eprint_status: archive userid: 608 dir: disk0/01/44/92/66 datestamp: 2014-09-26 18:34:21 lastmod: 2021-10-21 23:18:09 status_changed: 2014-09-26 18:34:21 type: article metadata_visibility: show item_issues_count: 0 creators_name: Fortes, AD creators_name: Gutmann, MJ title: Crystal structure of magnesium selenate heptahydrate, MgSeO7HO, from neutron time-of-flight data ispublished: pub divisions: UCL divisions: B04 divisions: C06 divisions: F57 note: 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. 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. date: 2014-08-06 official_url: http://dx.doi.org/10.1107/S1600536814018698 vfaculties: VMPS oa_status: green full_text_type: pub language: eng primo: open primo_central: open_green verified: verified_manual elements_source: Scopus elements_id: 978875 doi: 10.1107/S1600536814018698 lyricists_name: Fortes, Andrew lyricists_id: AFORT20 full_text_status: public publication: Acta Crystallographica Section E: Structure Reports Online volume: 70 number: 9 pagerange: 134 - 137 citation: 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 <https://doi.org/10.1107/S1600536814018698>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/1449266/1/wm5046.pdf