What is it about?
This article reports an attempt to draw the electron density distribution maps of the Mg3BN3 low pressure phase [Mg3BN3(L)] by using the DCT in order to confirm the utility of the DCT for analysing the internal structure of materials. It is found that the DCT can provide mirror-symmetric electron density distribution projection maps and a modified DCT can be used to calculate whole standard electron density distribution projection maps for the surface plane of the unit cell. Moreover, a real crystal structure that has a centre of symmetry can be determined by the DCT by transforming a 1/4 part of the mirror-symmetric electron density distribution projection map.
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Why is it important?
It has been found out that the DCT can be utilized for a new structure determination method. Moreover, this new method for crystal structure determination could develop crystal structure analysis further.
Read the Original
This page is a summary of: Novel study on the electron density distribution projection maps calculated via the discrete cosine transform, Journal of Applied Crystallography, July 2021, International Union of Crystallography, DOI: 10.1107/s1600576721006580.
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