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POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns
Abstract
The main component of this program is a simultaneous representation of the unit cell and the calculated powder pattern. It allows the manipulation of the crystal structure by moving selected atoms of the asymmetric unit. The resulting powder pattern can be directly compared to experimental data in order to obtain reliable starting values for further computations in refinement programs.
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Citations
Cited by
Uvarov, V., & Popov, I. (2013) · Materials Characterization · doi:10.1016/j.matchar.2013.09.002 · Cited by 537
Yoo, H. D., Liang, Y., Dong, H., Lin, J., Wang, H., Liu, Y., Ma, L., Wu, T., Li, Y., Ru, Q., et al. (2017) · Nature Communications · doi:10.1038/s41467-017-00431-9 · Cited by 396
Thangadurai, V., & Weppner, W. (2005) · Journal of the American Ceramic Society · doi:10.1111/j.1551-2916.2005.00060.x · Cited by 269
Hernández-Fernández, P., Rojas, S., Ocón, P., Gómez de la Fuente, J. L., San Fabián, J., Sanza, J., Peña, M. A., García-García, F. J., Terreros, P., & Fierro, J. L. G. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp066812k · Cited by 174
Sarkar, A., Kerr, J. B., & Cairns, E. J. (2013) · ChemPhysChem · doi:10.1002/cphc.201200917 · Cited by 12
Metadata
- Authors
- Kraus, W., & Nolze, G.
- Venue
- Journal of Applied Crystallography
- Published
- 1996-06-01
- Volume
- 29
- Issue
- 3
- Pages
- 301-303
- ISSN
- 0021-8898 (ISSN-L)
- OpenAlex
- W2059742211
- Cited by
- 2,174
- References
- 0
- FWCI
- 9.12
- Type
- journal article
- Language
- en
- Open access
- closed
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How to cite
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- CoChat. (2026). Citation check: POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns. https://app.cochat.ai/papers/10.1107/s0021889895014920
- The paper
- Kraus, W., & Nolze, G. (1996). POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889895014920
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.