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Synchrotron Radiation Applied to Computer Indexing

Published online by Cambridge University Press:  06 March 2019

Gordon S. Smith ,
Quintin C. Johnson ,
David E. Cox ,
Robert L. Snyder ,
Deane K. Smith  and
Allan Zalkin
Gordon S. Smith
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA 94550
Quintin C. Johnson
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA 94550
David E. Cox
Affiliation:
Brookhaven National Laboratory, Upton, NY 11973
Robert L. Snyder
Affiliation:
Alfred University, Alfred, NY 14802
Deane K. Smith
Affiliation:
Pennsylvania State University, University Park, PA 16802
Allan Zalkin
Affiliation:
Lawrence Berkeley Laboratory, Berkeley, CA 94720
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Abstract

Synchrotron radiation was used to obtain a high-resolution powder diffraction pattern of the high-density form of BeH2, a material whose unit-cell dimensions have not previously been determined. The observed d-spacing values were presented to three different computer indexing programs. All three programs returned as best solution a body-centered orthorhombic unit cell with a = 9.082, b = 4.160, c = 7.707 Å and V = 292 Å3. Interpretation of the three-dimensional Patterson led to 12 BeH2 molecules per unit cell; thus, the theoretical density is 0.755 g/cm3. The molecular structure is based on a network of corner-sharing BeH4 tetrahedra rather than flat, infinite chains with hydrogen bridges previously assumed.

Type
VII. Synchrotron and Neutron Diffraction
Information
Advances in X-Ray Analysis , Volume 30: Thirty-Fifth Annual Conference on Applications of X-ray Analysis, August 4-8, 1986 , 1986 , pp. 383 - 388
Copyright
Copyright © International Centre for Diffraction Data 1986

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References

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