none 10.1021/acs.cgd.0c01252 American Chemical Society (ACS) American Chemical Society 316 121454436 2504 2026090302121330100 10.1021 2026-09-03T06:12:20Z 2020-11-21T10:37:56Z 0 Crystal Growth & Design 1528-7483 1528-7505 11 21 2020 01 06 2021 21 1 Małgorzata Katarzyna Cabaj University of Warsaw , , ul. Żwirki i Wigury 101 , , Warszawa, Poland, 02-089 http://orcid.org/0000-0001-9184-4513 Paulina Maria Dominiak University of Warsaw , , ul. Żwirki i Wigury 101 , , Warszawa, Poland, 02-089 http://orcid.org/0000-0002-1466-1243 Abstract Structures of hypoxanthinium nitrate monohydrate crystals were determined at 15 different temperatures ranging from 20 to 285 K. Crystals undergo a phase transition from the twinned, low temperature phase of P21/n symmetry into the high temperature Pmnb phase. Sets of X-ray diffraction data acquired at each temperature were subjected to different types of refinement. We found that, as the temperature increases, the layers of hypoxanthinium nitrate monohydrate shift against each other, leading to the negative thermal expansion in one direction and positive one perpendicular to it. Such a phenomenon stops at the point of phase transition when the asymmetry in interactions in the structure disappears. 11 21 2020 01 06 2021 424 435 https://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html 10.1021/acs.cgd.0c01252 https://pubs.acs.org/cgdefu/article/21/1/424/575341/Phase-Transition-of-Hypoxanthinium-Nitrate https://pubs.acs.org/cgdefu/article-pdf/21/1/424/5698875/cg0c01252.pdf https://pubs.acs.org/cgdefu/article-pdf/21/1/424/5698875/cg0c01252.pdf https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.0c01252 Thermal expansion of crystals Krishnan i 1979 J. Chem. Soc., Dalton Trans. Evans 19 3317 1999 10.1039/a904297k Negative thermal expansion materials Properties of materials: Anisotropy, symmetry, structure Newnham 2005 Nat. Mater. 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