Redetermination of kovdorskite, Mg2PO4(OH)·3H2O
The crystal structure of kovdorskite, ideally Mg2PO4(OH)·3H2O (dimagnesium phosphate hydroxide trihydrate), was reported previously with isotropic displacement paramaters only and without H-atom positions [Ovchinnikov et al. (1980 ▶). Dokl. Akad. Nauk SSSR. 255, 351–354]. In this study, the kovdorsk...
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ftpubmed:oai:pubmedcentral.nih.gov:3274836 2023-05-15T17:04:59+02:00 Redetermination of kovdorskite, Mg2PO4(OH)·3H2O Morrison, Shaunna M. Downs, Robert T. Yang, Hexiong 2012-01-11 http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274836 http://www.ncbi.nlm.nih.gov/pubmed/22346789 https://doi.org/10.1107/S1600536812000256 en eng International Union of Crystallography http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274836 http://www.ncbi.nlm.nih.gov/pubmed/22346789 http://dx.doi.org/10.1107/S1600536812000256 © Morrison et al. 2012 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. CC-BY Inorganic Papers Text 2012 ftpubmed https://doi.org/10.1107/S1600536812000256 2013-09-04T02:20:26Z The crystal structure of kovdorskite, ideally Mg2PO4(OH)·3H2O (dimagnesium phosphate hydroxide trihydrate), was reported previously with isotropic displacement paramaters only and without H-atom positions [Ovchinnikov et al. (1980 ▶). Dokl. Akad. Nauk SSSR. 255, 351–354]. In this study, the kovdorskite structure is redetermined based on single-crystal X-ray diffraction data from a sample from the type locality, the Kovdor massif, Kola Peninsula, Russia, with anisotropic displacement parameters for all non-H atoms, with all H-atom located and with higher precision. Moreover, inconsistencies of the previously published structural data with respect to reported and calculated X-ray powder patterns are also discussed. The structure of kovdorskite contains a set of four edge-sharing MgO6 octahedra interconnected by PO4 tetrahedra and O—H⋯O hydrogen bonds, forming columns and channels parallel to [001]. The hydrogen-bonding system in kovdorskite is formed through the water molecules, with the OH− ions contributing little, if any, to the system, as indicated by the long H⋯A distances (>2.50 Å) to the nearest O atoms. The hydrogen-bond lengths determined from the structure refinement agree well with Raman spectroscopic data. Text kola peninsula PubMed Central (PMC) Kola Peninsula Kovdor ENVELOPE(30.620,30.620,67.534,67.534) Acta Crystallographica Section E Structure Reports Online 68 2 i12 i13 |
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Inorganic Papers Morrison, Shaunna M. Downs, Robert T. Yang, Hexiong Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
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Inorganic Papers |
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The crystal structure of kovdorskite, ideally Mg2PO4(OH)·3H2O (dimagnesium phosphate hydroxide trihydrate), was reported previously with isotropic displacement paramaters only and without H-atom positions [Ovchinnikov et al. (1980 ▶). Dokl. Akad. Nauk SSSR. 255, 351–354]. In this study, the kovdorskite structure is redetermined based on single-crystal X-ray diffraction data from a sample from the type locality, the Kovdor massif, Kola Peninsula, Russia, with anisotropic displacement parameters for all non-H atoms, with all H-atom located and with higher precision. Moreover, inconsistencies of the previously published structural data with respect to reported and calculated X-ray powder patterns are also discussed. The structure of kovdorskite contains a set of four edge-sharing MgO6 octahedra interconnected by PO4 tetrahedra and O—H⋯O hydrogen bonds, forming columns and channels parallel to [001]. The hydrogen-bonding system in kovdorskite is formed through the water molecules, with the OH− ions contributing little, if any, to the system, as indicated by the long H⋯A distances (>2.50 Å) to the nearest O atoms. The hydrogen-bond lengths determined from the structure refinement agree well with Raman spectroscopic data. |
format |
Text |
author |
Morrison, Shaunna M. Downs, Robert T. Yang, Hexiong |
author_facet |
Morrison, Shaunna M. Downs, Robert T. Yang, Hexiong |
author_sort |
Morrison, Shaunna M. |
title |
Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
title_short |
Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
title_full |
Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
title_fullStr |
Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
title_full_unstemmed |
Redetermination of kovdorskite, Mg2PO4(OH)·3H2O |
title_sort |
redetermination of kovdorskite, mg2po4(oh)·3h2o |
publisher |
International Union of Crystallography |
publishDate |
2012 |
url |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274836 http://www.ncbi.nlm.nih.gov/pubmed/22346789 https://doi.org/10.1107/S1600536812000256 |
long_lat |
ENVELOPE(30.620,30.620,67.534,67.534) |
geographic |
Kola Peninsula Kovdor |
geographic_facet |
Kola Peninsula Kovdor |
genre |
kola peninsula |
genre_facet |
kola peninsula |
op_relation |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274836 http://www.ncbi.nlm.nih.gov/pubmed/22346789 http://dx.doi.org/10.1107/S1600536812000256 |
op_rights |
© Morrison et al. 2012 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. |
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CC-BY |
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https://doi.org/10.1107/S1600536812000256 |
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