Single-crystal structure and solid-state NMR of ga2-xsc xo3 (x = 0.83)

Hamdi Yahia, Leo Van Wüllen, Sarkarainadar Balamurugan, Ute Ch Rodewald, Hellmut Eckertb, Rainer Pöttgena

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Colorless needles of Ga2-xScxO3 (x = 0.83) were isolated during the crystal growth of La3Ga3Sc 2O12 in a K2WO4 flux. The structure was refined from X-ray single-crystal data: β-Ga2O3 type,C2/m, Z = 4, a = 12.716(4), b = 3.1566(6), c = 5.928(5) Å β = 102.57(3)̊V = 232.2 ̊A3, wR2 = 0.0618, 429 F2 values, 32 variables. The structure is based on infinite double chains of edge-sharing Sc/GaO6 octahedra running along the b axis. The GaO 4 tetrahedra connect these chains by sharing corners and form a three-dimensional framework. The oxygen atoms form a distorted ccp pattern. The 45Sc NMR spectra confirm the presence of a single scandium site, while 71Ga NMR data clearly prove the partial occupancy of the scandium site by gallium atoms. The nuclear electric quadrupolar parameters of 45Sc and 71Ga are discussed in relation to the crystallographic atomic environments.

Original languageEnglish
Pages (from-to)14-20
Number of pages7
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Volume66
Issue number1
Publication statusPublished - Jan 2011
Externally publishedYes

Fingerprint

Scandium
Crystal structure
Nuclear magnetic resonance
Single crystals
Atoms
Gallium
Crystallization
Needles
Oxygen
Fluxes
X rays

Keywords

  • Crystal chemistry
  • Scandium
  • Solid-state nmr

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Yahia, H., Wüllen, L. V., Balamurugan, S., Rodewald, U. C., Eckertb, H., & Pöttgena, R. (2011). Single-crystal structure and solid-state NMR of ga2-xsc xo3 (x = 0.83). Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 66(1), 14-20.

Single-crystal structure and solid-state NMR of ga2-xsc xo3 (x = 0.83). / Yahia, Hamdi; Wüllen, Leo Van; Balamurugan, Sarkarainadar; Rodewald, Ute Ch; Eckertb, Hellmut; Pöttgena, Rainer.

In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, Vol. 66, No. 1, 01.2011, p. 14-20.

Research output: Contribution to journalArticle

Yahia, H, Wüllen, LV, Balamurugan, S, Rodewald, UC, Eckertb, H & Pöttgena, R 2011, 'Single-crystal structure and solid-state NMR of ga2-xsc xo3 (x = 0.83)', Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, vol. 66, no. 1, pp. 14-20.
Yahia, Hamdi ; Wüllen, Leo Van ; Balamurugan, Sarkarainadar ; Rodewald, Ute Ch ; Eckertb, Hellmut ; Pöttgena, Rainer. / Single-crystal structure and solid-state NMR of ga2-xsc xo3 (x = 0.83). In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 2011 ; Vol. 66, No. 1. pp. 14-20.
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