A new method for the determination of precise values for the lattice parameters from powder patterns of trigonal and tetragonal crystals. Systematic errors and their partial elimination

Lutts, A.
(1982) Zeitschrift fuer Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials — Vol. 159, n° 1-4, p. 191-202 (1982)

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  • Lutts, A.
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Abstract
A simple method for the precise determination of the lattice parameters of trigonal and tetragonal crystals using a value of the square of the axial ratio -/b c//sup 2///b a//sup 2/ is described. Also described is the influence of systematic errors on /b c //sup 2///b a//sup 2/ as well as on /b c/ and /b a/, and a simple method is described for elimination these effects in order to determine the corresponding error-free value /b c//sub 0 //sup 2///b a//sub 0//sup 2/, from which it is possible to calculate a value of /b c/ and /b a/ from each diffracted line and eventually to obtain /b c//sub 0/ and /b a //sub 0/ by extrapolation. These steps have been illustrated by a specimen of high-purity, natural alpha -quartz whose unit cell dimensions are: /b c//sub 0/=5.40510+/-0.00005 A , /b a//sub 0/=4.91360+/-0.00005 A and /b c//sub 0 ///b a//sub 0/=1.10003 at 25+/-0.5 degrees C. The volume of the hexagonal unit cell is 113.014+/-0.001 A /sup 3/ and the X-ray density /b D//sub x/=2.6484+/-0.0001 g/cm/sup 3/ at 25+/-0.5 degrees C.
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Lutts, A. (1982). A new method for the determination of precise values for the lattice parameters from powder patterns of trigonal and tetragonal crystals. Systematic errors and their partial elimination. Zeitschrift fuer Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials, 159(1-4), 191-202. https://hdl.handle.net/2078.5/149003 (Original work published 1982)