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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

Kraus, W., Nolze, G.·1996·Journal of Applied Crystallography

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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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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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
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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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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.