Low-temperature modification of Ba(BF4)2(H2O)3
| Autor: | Evgeny Goreshnik, Andrii Vakulka, Gašper Tavčar |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | IUCrData, Vol 8, Iss 6, p x230488 (2023) |
| Druh dokumentu: | article |
| ISSN: | 2414-3146 24143146 |
| DOI: | 10.1107/S2414314623004881 |
| Popis: | The crystal structure of the low-temperature modification of Ba(BF4)2(H2O)3, barium bis(tetrafluoridoborate) trihydrate, was determined at 150 K. In contrast to the room-temperature modification, which crystallizes in the space group C2221 [a = 7.1763 (6), b = 18.052 (2), c = 7.1631 (6) Å, V = 927.93 (15) Å3 at 300 K, Z = 4; Charkin et al. (2023). J. Struct. Chem. 64, 253–261], the low-temperature phase is monoclinic, space group P21 [a = 7.0550 (4), b = 7.1706 (3), c = 9.4182 (6) Å, β = 109.295 (7)o, V = 449.68 (5) Å3, Z = 2]. The structure of the low-temperature modification of Ba(BF4)2(H2O)3 features O—H...F and O—H...O hydrogen bonding between water molecules and BF4− anions. One of the coordinating water molecules in the low-temperature modification is disordered over two sets of sites. |
| Databáze: | Directory of Open Access Journals |
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