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Title: Materials Data on HoIO9 by Materials Project

Abstract

HoO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HoO9I sheet oriented in the (1, 0, 0) direction. Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.45 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ho and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ho atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the sixth O site,more » O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. I is bonded in an octahedral geometry to six O atoms.« less

Publication Date:
Other Number(s):
mp-1198708
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HoIO9; Ho-I-O
OSTI Identifier:
1749182
DOI:
https://doi.org/10.17188/1749182

Citation Formats

The Materials Project. Materials Data on HoIO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749182.
The Materials Project. Materials Data on HoIO9 by Materials Project. United States. doi:https://doi.org/10.17188/1749182
The Materials Project. 2020. "Materials Data on HoIO9 by Materials Project". United States. doi:https://doi.org/10.17188/1749182. https://www.osti.gov/servlets/purl/1749182. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1749182,
title = {Materials Data on HoIO9 by Materials Project},
author = {The Materials Project},
abstractNote = {HoO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HoO9I sheet oriented in the (1, 0, 0) direction. Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.45 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ho and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ho atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the sixth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1749182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}