Hostname: page-component-586b7cd67f-t7czq Total loading time: 0 Render date: 2024-11-23T03:00:44.967Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Snith, G.S., “Advances in the Computer Indexing of Powder Patterns”, Advances in X-ray Analysis, Vol. 23, 295 (1980).Google Scholar
2. Brendel, G.O., Marlett, E.M. and Niebylski, L.M., “Crystalline Beryllium Hydride”, Inorg. Chem. 17., 3589 (1978).Google Scholar
3. Visser, J.W., “A. Fully Automatic Program for Finding the Unit Cell from Powder Data”, J. Appl. Cryst. 2, 89–95 (1969).Google Scholar
4. Louer, D. and Vargas, R., “Indexation Automatique des Diagrammes de Poudre par Dichotomies Successives”, 3. Appl. Cryst., 15, 542 (1982).Google Scholar
5. Werner, P.-E., Eriksson, L. and Westdahl, M., “TREOR. A new in-Exhaustive Trial-and-Error Powder Indexing Program for All Symmetries”, J. Appl. Cryst. 18, 367 (1985).Google Scholar