Materials Data on Ho(BrO6)3 by Materials Project
HoO17Br2BrO crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hypobromous acid molecules and four HoO17Br2 clusters. In each HoO17Br2 cluster, Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.84 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.34 Å. In the second O site, O is bonded in a single-bond geometry to one Ho atom. In the third O site, O is bonded in a water-like geometry to one Ho and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ho and one O atom. The O–O bond length is 1.23 Å. In the fifth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the seventh O site, O is bonded in an L-shaped geometry to one Ho and one O atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Ho and one Br atom. The O–Br bond length is 1.76 Å. In the ninth O site, O is bonded in a single-bond geometry to one O atom. In the tenth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.68 Å. Br is bonded in a trigonal non-coplanar geometry to three O 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:
- 1715614
- Report Number(s):
- mp-1225958
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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