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Rietveld refinement of LaB~6~: data from μXRD by Guangrong Ning; Roberta L. Flemming is a Materials Science article available to read on EtoBox.

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The Rietveld method of crystal structure refinement was an important breakthrough, allowing crystal structural information to be obtained from powder diffraction data. One remaining challenge is to collect Rietveld-quality data for polycrystalline minerals__in situ__, using laboratory-based micro X-ray diffraction (μXRD) techniques. Here a new data collection method is presented, called `multiframes', which produces high-quality data, suitable for Rietveld refinement, using the Bruker D8 DISCOVER micro X-ray diffractometer. 91 frames of two-dimensional X-ray diffraction data were collected for powdered NIST SRM 660 LaB~6~standard material, using a general area-detector diffraction system (GADDS), at intervals of 0.8° 2θ. For each frame, only the central 1° 2θ was integrated and merged to produce a diffraction profile from 17 to 90° 2θ. Rietveld refinement of this data using__TOPAS2__gave a unit-cell parameter (__a__~o~) and atomic position of boron (__x__) for LaB~6~of 4.1549 (1) Å and 0.1991 (9), respectively (__R__~wp~= 4.26,__R__~Bragg~= 3.21). The corresponding La—B bond length was calculated to be 3.0522 Å. These parameters are in good agreement with the literature values for

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Author

Guangrong Ning; Roberta L. Flemming

Publisher

International Union of Crystallography; Blackwell Publishing Inc.; International Union of Crystallography (IUCr) (ISSN 0021-8898)

Published

2005

Language

EN

ISBN

9780021889808

Field

Materials Science (Physical Sciences)