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Title: Materials Data on Ho(BrO6)3 by Materials Project

Abstract

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 bondedmore » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1225958
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho(BrO6)3; Br-Ho-O
OSTI Identifier:
1715614
DOI:
https://doi.org/10.17188/1715614

Citation Formats

The Materials Project. Materials Data on Ho(BrO6)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1715614.
The Materials Project. Materials Data on Ho(BrO6)3 by Materials Project. United States. doi:https://doi.org/10.17188/1715614
The Materials Project. 2019. "Materials Data on Ho(BrO6)3 by Materials Project". United States. doi:https://doi.org/10.17188/1715614. https://www.osti.gov/servlets/purl/1715614. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1715614,
title = {Materials Data on Ho(BrO6)3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1715614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 13 00:00:00 EST 2019},
month = {Sun Jan 13 00:00:00 EST 2019}
}