X-ray powder diffraction as a tool for facing twins

The case of the monoclinic NbCoTe2 and TaCoTe2 phases

Jing Li, Frank McCulley, Susan L. McDonnell, Norberto Masciocchi, Davide M. Proserpio, Angelo Sironi

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

TaCoTe2 has been synthesized from the elements at 900°C in evacuated silica tubes; the crystals of TaCoTe2 are monoclinic, space group P21/c (No. 14), with a = 8.1524(6) Å, b = 6.2649(4) Å, c = 7.7945(5) Å, β = 116.789(4)°, and Z = 4, and appear to be heavily twinned about the (100) plane. Therefore, powder diffraction data and Rietveld refinement were used to assess the correct stereochemistry of the atoms of this new compound. In addition, the already reported NbCoTe2 compound has been found to be, in the bulk, monoclinic [a = 8.1612(4) Å, b = 6.2976(3) Å, c = 7.8518(4) Å, β = 117.487(3)°], rather than orthorhombic, and isostructural to TaCoTe2. The stereochemical interpretation of this change of crystal symmetry is given in terms of a significant asymmetrical bending of one tellurium atom toward one Nb (or Ta) atom, making these metals five-, rather than six-, coordinated.

Original languageEnglish
Pages (from-to)4829-4833
Number of pages5
JournalInorganic Chemistry
Volume32
Issue number22
Publication statusPublished - 1993

Fingerprint

X ray powder diffraction
Atoms
diffraction
Tellurium
atoms
Stereochemistry
Rietveld refinement
x rays
stereochemistry
Crystal symmetry
tellurium
Silicon Dioxide
crystals
Metals
tubes
silicon dioxide
Crystals
symmetry
metals
Powder Diffraction

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Li, J., McCulley, F., McDonnell, S. L., Masciocchi, N., Proserpio, D. M., & Sironi, A. (1993). X-ray powder diffraction as a tool for facing twins: The case of the monoclinic NbCoTe2 and TaCoTe2 phases. Inorganic Chemistry, 32(22), 4829-4833.

X-ray powder diffraction as a tool for facing twins : The case of the monoclinic NbCoTe2 and TaCoTe2 phases. / Li, Jing; McCulley, Frank; McDonnell, Susan L.; Masciocchi, Norberto; Proserpio, Davide M.; Sironi, Angelo.

In: Inorganic Chemistry, Vol. 32, No. 22, 1993, p. 4829-4833.

Research output: Contribution to journalArticle

Li, J, McCulley, F, McDonnell, SL, Masciocchi, N, Proserpio, DM & Sironi, A 1993, 'X-ray powder diffraction as a tool for facing twins: The case of the monoclinic NbCoTe2 and TaCoTe2 phases', Inorganic Chemistry, vol. 32, no. 22, pp. 4829-4833.
Li J, McCulley F, McDonnell SL, Masciocchi N, Proserpio DM, Sironi A. X-ray powder diffraction as a tool for facing twins: The case of the monoclinic NbCoTe2 and TaCoTe2 phases. Inorganic Chemistry. 1993;32(22):4829-4833.
Li, Jing ; McCulley, Frank ; McDonnell, Susan L. ; Masciocchi, Norberto ; Proserpio, Davide M. ; Sironi, Angelo. / X-ray powder diffraction as a tool for facing twins : The case of the monoclinic NbCoTe2 and TaCoTe2 phases. In: Inorganic Chemistry. 1993 ; Vol. 32, No. 22. pp. 4829-4833.
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