𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure of Zr2ON2 by Neutron Powder Diffraction: The Absence of Nitride–Oxide Ordering

✍ Scribed by S.J Clarke; C.W Michie; M.J Rosseinsky

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
198 KB
Volume
146
Category
Article
ISSN
0022-4596

No coin nor oath required. For personal study only.

✦ Synopsis

The structure of the 6uorite-related zirconium oxynitride Zr 2 ON 2 has been re5ned against a combination of laboratory X-ray and time of 6ight neutron powder di4raction data. The structure is of the bixbyite (C-M 2 O 3 ) type. The high symmetry of the powder di4raction pattern does not allow us to easily distinguish between fully ordered, fully disordered, or partially ordered anion models. However, Rietveld re5nements against both high and medium resolution neutron powder di4raction data clearly favour a statistical distribution of oxide and nitride anions over a single crystallographic site which is contrary to the predictions of previous calculations. The space group is Ia3 (No. 206), with a ‫؍‬ 10.13940(7) A s at 298 K and Z ‫؍‬ 16. This symmetry and unit cell are retained at low temperatures (a ‫؍‬ 10.1250(1) A s at 4.5 K). Partial oxidation reveals the existence of a phase with N 2 molecules weakly bound and the stoichiometry ZrO 2 (N 2 ) 0.028(1) . We also report the isostructural hafnium oxynitride Hf 2 ON 2 (Ia3 with a ‫؍‬ 10.0692(2) A s at 298 K as determined using laboratory X-ray di4raction data).

📜 SIMILAR VOLUMES

Characterization of the Structure of LaD
Characterization of the Structure of LaD2.50by Neutron Powder Diffraction
✍ T.J Udovic; Q Huang; JJ Rush 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 314 KB

and temperature-dependent phase transitions known to involve tetragonal lattice distortion and o-site hydrogen Neutron powder diffraction (NPD) measurements of the rare-earth deuteride LaD 2.50 were undertaken between 10 and (H o ) ordering. For example, we recently performed a neu-430 K. Rietveld r

Synthesis and Neutron Powder Diffraction
Synthesis and Neutron Powder Diffraction Structural Analysis of Oxidized Delafossite YCuO2.5.
✍ Vasile O. Garlea; Celine Darie; Olivier Isnard; Pierre Bordet 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 9 KB 👁 2 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.

A Powder Neutron Diffraction Investigati
A Powder Neutron Diffraction Investigation of Structure and Cation Ordering in Ba2+xBi2-xO6-y
✍ Kenneth P. Reis; Allan J. Jacobson; Jacqueline M. Nicol 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 473 KB

The structures and cation ordering of several barium bismuth oxide phases, \(\mathrm{Ba}_{2+x} \mathrm{Bi}_{2-} \mathrm{O}_{6-x}(x=0.22\), \(0.28,0.40,0.67)\), have been determined at ambient temperature from constant wavelength and timeof-flight neutron powder diffraction data. The end member of th

Structure of TlSr2NiO4+δby High-Resoluti
Structure of TlSr2NiO4+δby High-Resolution Neutron Powder Diffraction
✍ C.S. Knee; M.T. Weller 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 200 KB

TlSr 2 NiO 4؉ has been synthesized and its structure determined using high-resolution neutron powder diffraction data collected at 5 K, 90 K, and room temperature. It crystallizes in an orthorhombic cell, space group Pmmm, lattice parameters a ‫؍‬ 3.7217(1), b ‫؍‬ 7.5158(2), and c ‫؍‬ 8.8321(3) A s