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Figure 4
Fragment1 of the crystal structure of CaDGgalX (X = Br,I), optimized at the B3LYP level of theory. Dotted lines indicate hydrogen bonds.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 4| August 2021| Pages 506-514
https://doi.org/10.1107/S2052520621004637
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