Issue 2, 1987
From the journal:

Journal of the Chemical Society, Dalton Transactions

Determination of the deuterium position in DNb6I11

Arndt Simon,   Friederike Stollmaier,   David Gregson  and  Hartmut Fuess  

Abstract

Neutron diffraction data from a sample of composition D0.45Nb6I11 were collected on a four-circle diffractometer at 120 K (low-temperature phase, P21cn) and 350 K (high-temperature phase, Pccn). According to Guinier X-ray diagrams, the investigated specimen prepared by heating a Nb6I11 crystal in D2 consisted of epitaxially intergrown Nb6I11 and DNb6I11, i.e. the deuteriation reaction did not reach the inner part of the crystal. A ‘twin’ refinement (intensity coupling) was therefore performed. The D atoms occupy central positions in the Nb6 cage both at high and low temperature. The thermal ellipsoids of the D atoms exclude a time-averaged off-centre position.

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Article information

DOI
https://doi.org/10.1039/DT9870000431
Article type
Paper

J. Chem. Soc., Dalton Trans., 1987, 431-434

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Determination of the deuterium position in DNb6I11

A. Simon, F. Stollmaier, D. Gregson and H. Fuess, J. Chem. Soc., Dalton Trans., 1987, 431 DOI: 10.1039/DT9870000431

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