Materials Data on K2HBrO by Materials Project
K2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The K–O bond length is 2.59 Å. There are two shorter (3.39 Å) and one longer (3.59 Å) K–Br bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both K–H bond lengths are 2.91 Å. Both K–O bond lengths are 2.79 Å. There are a spread of K–Br bond distances ranging from 3.37–3.53 Å. H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven K1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1200153
- Report Number(s):
- mp-24589
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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