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Low-temperature modification of Ba(BF)(HO). | LitMetric

Low-temperature modification of Ba(BF)(HO).

IUCrdata

Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39 1000 Ljubljana, Slovenia.

Published: June 2023

The crystal structure of the low-temperature modification of Ba(BF)(HO), barium bis(tetra-fluorido-borate) trihydrate, was determined at 150 K. In contrast to the room-temperature modification, which crystallizes in the space group 222 [ = 7.1763 (6), = 18.052 (2), = 7.1631 (6) Å, = 927.93 (15) Å at 300 K, = 4; Charkin (2023 ▸). . , 253-261], the low-temperature phase is monoclinic, space group 2 [ = 7.0550 (4), = 7.1706 (3), = 9.4182 (6) Å, = 109.295 (7), = 449.68 (5) Å, = 2]. The structure of the low-temperature modification of Ba(BF)(HO) features O-H⋯F and O-H⋯O hydrogen bonding between water mol-ecules and BF anions. One of the coordinating water mol-ecules in the low-temperature modification is disordered over two sets of sites.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626621PMC
http://dx.doi.org/10.1107/S2414314623004881DOI Listing

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