%0 Journal Article %1 Hofmann2002 %A Hofmann, D. W. M. %D 2002 %I International Union of Crystallography %J Acta Crystallographica Section B: Structural Science %K csd density-estimation solid-state volume-increments %N 3 %P 489--493 %R 10.1107/s0108768101021814 %T Fast estimation of crystal densities %U http://dx.doi.org/10.1107/s0108768101021814 %V 58 %X 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.

@article{Hofmann2002, 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.}}, added-at = {2019-03-11T21:00:05.000+0100}, author = {Hofmann, D. W. M.}, biburl = {https://www.bibsonomy.org/bibtex/265567c9db754ccdc8ec197ddf5eeba6e/fairybasslet}, citeulike-article-id = {13640059}, citeulike-linkout-0 = {http://dx.doi.org/10.1107/s0108768101021814}, citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S0108768101021814}, day = 01, doi = {10.1107/s0108768101021814}, interhash = {ad5937d822b690d680082b35f1787968}, intrahash = {65567c9db754ccdc8ec197ddf5eeba6e}, issn = {0108-7681}, journal = {Acta Crystallographica Section B: Structural Science}, keywords = {csd density-estimation solid-state volume-increments}, month = jun, number = 3, pages = {489--493}, posted-at = {2015-06-05 18:57:57}, priority = {2}, publisher = {International Union of Crystallography}, timestamp = {2019-03-11T21:06:37.000+0100}, title = {{Fast estimation of crystal densities}}, url = {http://dx.doi.org/10.1107/s0108768101021814}, volume = 58, year = 2002 }