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Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data

MgSeO(4)·7H(2)O is isostructural with the analogous sulfate, MgSO(4)·7H(2)O, consisting of isolated [Mg(H(2)O)(6)](2+) octa­hedra and [SeO(4)](2−) tetra­hedra, linked by O—H⋯O hydrogen bonds, with a single inter­stitial lattice water mol­ecule. As in the sulfate, the [Mg(H(2)O)(6)](2+) coordination...

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Autores principales: Fortes, A. Dominic, Gutmann, Matthias J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186159/
https://www.ncbi.nlm.nih.gov/pubmed/25309161
http://dx.doi.org/10.1107/S1600536814018698
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author Fortes, A. Dominic
Gutmann, Matthias J.
author_facet Fortes, A. Dominic
Gutmann, Matthias J.
author_sort Fortes, A. Dominic
collection PubMed
description MgSeO(4)·7H(2)O is isostructural with the analogous sulfate, MgSO(4)·7H(2)O, consisting of isolated [Mg(H(2)O)(6)](2+) octa­hedra and [SeO(4)](2−) tetra­hedra, linked by O—H⋯O hydrogen bonds, with a single inter­stitial lattice water mol­ecule. As in the sulfate, the [Mg(H(2)O)(6)](2+) 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 MgSeO(4)·7H(2)O 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.
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spelling pubmed-41861592014-10-12 Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data Fortes, A. Dominic Gutmann, Matthias J. Acta Crystallogr Sect E Struct Rep Online Research Communications MgSeO(4)·7H(2)O is isostructural with the analogous sulfate, MgSO(4)·7H(2)O, consisting of isolated [Mg(H(2)O)(6)](2+) octa­hedra and [SeO(4)](2−) tetra­hedra, linked by O—H⋯O hydrogen bonds, with a single inter­stitial lattice water mol­ecule. As in the sulfate, the [Mg(H(2)O)(6)](2+) 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 MgSeO(4)·7H(2)O 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. International Union of Crystallography 2014-08-23 /pmc/articles/PMC4186159/ /pubmed/25309161 http://dx.doi.org/10.1107/S1600536814018698 Text en © Fortes and Gutmann 2014 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Research Communications
Fortes, A. Dominic
Gutmann, Matthias J.
Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title_full Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title_fullStr Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title_full_unstemmed Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title_short Crystal structure of magnesium selenate hepta­hydrate, MgSeO(4)·7H(2)O, from neutron time-of-flight data
title_sort crystal structure of magnesium selenate hepta­hydrate, mgseo(4)·7h(2)o, from neutron time-of-flight data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186159/
https://www.ncbi.nlm.nih.gov/pubmed/25309161
http://dx.doi.org/10.1107/S1600536814018698
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