Skip to main content Accessibility help
×
Home

Synchrotron Radiation Applied to Computer Indexing

  • Gordon S. Smith (a1), Quintin C. Johnson (a1), David E. Cox (a2), Robert L. Snyder (a3), Deane K. Smith (a4) and Allan Zalkin (a5)...

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.

Copyright

References

Hide All
1. Snith, G.S., “Advances in the Computer Indexing of Powder Patterns”, Advances in X-ray Analysis, Vol. 23, 295 (1980).
2. Brendel, G.O., Marlett, E.M. and Niebylski, L.M., “Crystalline Beryllium Hydride”, Inorg. Chem. 17., 3589 (1978).
3. Visser, J.W., “A. Fully Automatic Program for Finding the Unit Cell from Powder Data”, J. Appl. Cryst. 2, 8995 (1969).
4. Louer, D. and Vargas, R., “Indexation Automatique des Diagrammes de Poudre par Dichotomies Successives”, 3. Appl. Cryst., 15, 542 (1982).
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).

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed