Redetermination of kovdorskite, Mg 2PO 4(OH) ·3H 2O

Shaunna M. Morrison, Robert T Downs, Hexiong Yang

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The crystal structure of kovdorskite, ideally Mg 2PO 4(OH)·3H 2O (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 MgO 6 octa-hedra inter-connected by PO 4 tetra-hedra and O - H⋯O hydrogen bonds, forming columns and channels parallel to [001]. The hydrogen-bonding system in kovdorskite is formed through the water mol-ecules, 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.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number2
DOIs
StatePublished - Feb 2012

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Atoms
Hydrogen bonds
atoms
hydrogen bonds
peninsulas
Bond length
Russian Federation
Powders
hydroxides
phosphates
Phosphates
x rays
Crystal structure
Single crystals
Ions
X ray diffraction
X rays
crystal structure
Water
single crystals

Keywords

  • data-to-parameter ratio = 17.3
  • mean σ(Mg-O) = 0.001 Å
  • R factor = 0.022
  • single-crystal X-ray study
  • T = 293 K
  • wR factor = 0.056

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Redetermination of kovdorskite, Mg 2PO 4(OH) ·3H 2O. / Morrison, Shaunna M.; Downs, Robert T; Yang, Hexiong.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 2, 02.2012.

Research output: Contribution to journalArticle

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