Structure of titanophosphate glasses studied by X-ray and neutron diffraction

U. Hoppe, R. K. Brow, B. C. Tischendorf, A. Kriltz, P. Jóvári, A. Schöps, A. C. Hannon

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The structure of binary (TiO2)x(P2O5)1-x glasses with x = 0.60, 0.65 and a ternary K2O-TiO2-P2O5 (KTP) glass were studied by X-ray and neutron diffraction. The experiments were performed at the high-energy beamline BW5 of the synchrotron DORIS (Hamburg/Germany) and at the GEM instrument of the neutron source ISIS (Chilton/UK). Gaussian fitting of well-resolved first-neighbor peaks in the correlation functions of the binary glasses with TiO2 contents of 0.65 and 0.60 result in Ti-O coordination numbers of 5.65 ± 0.2 and 5.9 ± 0.2, respectively. Distorted TiO6 octahedra and isolated PO4 units form the glassy networks, with a small number of lower coordinated Ti sites for the 0.65 TiO2 glass. For comparison, only TiO6 octahedra are found for a ternary K2O-TiO2-P2O5 glass. The Ti-O coordination numbers are compared with a structural model where all oxygen atoms occupy sites in Ti-O-Ti, Ti-O-P or P-O-P bridges. The presence of three-coordinated oxygens must be assumed for the binary glasses, whereas a structure with nearly all oxygen atoms forming network bridges exists for the ternary KTP glass.

Original languageEnglish
Pages (from-to)1802-1807
Number of pages6
JournalJournal of Non-Crystalline Solids
Volume353
Issue number18-21
DOIs
Publication statusPublished - Jun 15 2007

Fingerprint

phosphorus pentoxide
Neutron diffraction
neutron diffraction
X ray diffraction
Glass
glass
diffraction
x rays
Oxygen
coordination number
oxygen atoms
Air cushion vehicles
Atoms
Neutron sources
neutron sources
Synchrotrons
Germany
synchrotrons
oxygen

Keywords

  • Neutron diffraction/scattering
  • Phosphates
  • Short-range order
  • Titanates
  • X-ray diffraction

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Hoppe, U., Brow, R. K., Tischendorf, B. C., Kriltz, A., Jóvári, P., Schöps, A., & Hannon, A. C. (2007). Structure of titanophosphate glasses studied by X-ray and neutron diffraction. Journal of Non-Crystalline Solids, 353(18-21), 1802-1807. https://doi.org/10.1016/j.jnoncrysol.2007.01.079

Structure of titanophosphate glasses studied by X-ray and neutron diffraction. / Hoppe, U.; Brow, R. K.; Tischendorf, B. C.; Kriltz, A.; Jóvári, P.; Schöps, A.; Hannon, A. C.

In: Journal of Non-Crystalline Solids, Vol. 353, No. 18-21, 15.06.2007, p. 1802-1807.

Research output: Contribution to journalArticle

Hoppe, U, Brow, RK, Tischendorf, BC, Kriltz, A, Jóvári, P, Schöps, A & Hannon, AC 2007, 'Structure of titanophosphate glasses studied by X-ray and neutron diffraction', Journal of Non-Crystalline Solids, vol. 353, no. 18-21, pp. 1802-1807. https://doi.org/10.1016/j.jnoncrysol.2007.01.079
Hoppe, U. ; Brow, R. K. ; Tischendorf, B. C. ; Kriltz, A. ; Jóvári, P. ; Schöps, A. ; Hannon, A. C. / Structure of titanophosphate glasses studied by X-ray and neutron diffraction. In: Journal of Non-Crystalline Solids. 2007 ; Vol. 353, No. 18-21. pp. 1802-1807.
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AB - The structure of binary (TiO2)x(P2O5)1-x glasses with x = 0.60, 0.65 and a ternary K2O-TiO2-P2O5 (KTP) glass were studied by X-ray and neutron diffraction. The experiments were performed at the high-energy beamline BW5 of the synchrotron DORIS (Hamburg/Germany) and at the GEM instrument of the neutron source ISIS (Chilton/UK). Gaussian fitting of well-resolved first-neighbor peaks in the correlation functions of the binary glasses with TiO2 contents of 0.65 and 0.60 result in Ti-O coordination numbers of 5.65 ± 0.2 and 5.9 ± 0.2, respectively. Distorted TiO6 octahedra and isolated PO4 units form the glassy networks, with a small number of lower coordinated Ti sites for the 0.65 TiO2 glass. For comparison, only TiO6 octahedra are found for a ternary K2O-TiO2-P2O5 glass. The Ti-O coordination numbers are compared with a structural model where all oxygen atoms occupy sites in Ti-O-Ti, Ti-O-P or P-O-P bridges. The presence of three-coordinated oxygens must be assumed for the binary glasses, whereas a structure with nearly all oxygen atoms forming network bridges exists for the ternary KTP glass.

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