Published March 2016 | Version v1
Journal article Metadata-only

Syntheses, crystal structures, NMR spectroscopy, and vibrational spectroscopy of Sr(PO3F).H2O and Sr(PO3F)

Creators

  • 1. Lehrstuhl fuer Festkoerperchemie, Institut fuer Physik, Universitaet Augsburg (Germany)
  • 2. Lehrstuhl fuer Chemische Physik und Materialwissenschaften, Institut fuer Physik, Universitaet Augsburg (Germany)
  • 3. Institute for Mineralogy and Crystallography, Faculty of Geosciences, Geography and Astronomy, University of Vienna (Austria)
  • 4. Centro de Quimica Inorganica (CEQUINOR/CONICET, UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina)
  • 5. Institute for Chemical Technologies and Analytics, Division Structural Chemistry, Vienna University of Technology (Austria)

Description

Single crystals of Sr(PO3F).H2O {P21/c, Z = 4, a = 7.4844(2) Aa, b = 7.0793(2) Aa, c = 8.4265(2) Aa, β = 108.696(1) , V = 422.91(2) Aa3, 2391 Fo2, 70 parameters, R1[F2 > 2σ(F2)] = 0.036; wR2(F2 all) = 0.049, S = 1.054} were grown from an aqueous solution by a metathesis reaction. The structure comprises [SrO8] polyhedra and PO3F tetrahedra that form a layered arrangement parallel to (100). The topotactic dehydration of this phase proceeds between 80 and 140 C to afford Sr(PO3F). The monazite-type crystal structure of Sr(PO3F) was elucidated from the X-ray powder data by simulated annealing [P21/c, Z = 4, a = 6.71689(9) Aa, b = 7.11774(11) Aa, c = 8.66997(13) Aa, β = 128.0063(7) , V = 326.605(8) Aa3, Rp = 0.010, Rwp = 0.015, RF = 0.030]. During dehydration, the structure of Sr(PO3F) .H2O collapses along [100] from a layered arrangement into a framework structure, accompanied by a change of the coordination number of the Sr2+ ions from eight to nine. The magic-angle spinning (MAS) NMR and vibrational spectroscopy data of both phases are discussed. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Availability note (English)

Available from: http://dx.doi.org/10.1002/ejic.201501143

Additional details

Identifiers

DOI
10.1002/ejic.201501143;

Publishing Information

Journal Title
European Journal of Inorganic Chemistry (online)
Journal Volume
2016
Journal Issue
7
Journal Page Range
p. 1121-1128
ISSN
1099-0682
CODEN
EJICFO

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
48070481
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CRYSTAL STRUCTURE; LATTICE PARAMETERS; LAYERS; NMR SPECTRA; SPECTROSCOPY; STRONTIUM FLUORIDES; STRONTIUM PHOSPHATES; SYNTHESIS
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; FLUORIDES; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; OXYGEN COMPOUNDS; PHOSPHATES; PHOSPHORUS COMPOUNDS; SPECTRA; STRONTIUM COMPOUNDS; STRONTIUM HALIDES

Optional Information

Notes
With 8 figs., 6 tabs., 54 refs.