Acta Crystallographica Section B

Structural Science

Volume 58, Part 3 Number 2 (June 2002)



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Acta Cryst. (2002). B58, 489-493    [doi:10.1107/S0108768101021814]

Fast estimation of crystal densities

D. W. M. Hofmann

Abstract: A simple, efficient and accurate method for the estimation of crystal densities is of interest for different applications. By analysis of the Cambridge Structural Database (CSD) we derived an average atom volume method to estimate the cell volume for a given formula and Z value. This method extends the work of Mighell et al. (1987) by inclusion of the thermal expansion and error estimation.

Online 29 May 2002


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