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Title: Materials Data on Ho2B3O8 by Materials Project

Abstract

Ho2B3O8 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.31–2.42 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.48 Å) and two longer (1.49 Å) B–O bond length. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ho and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ho and one B atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and two equivalent B atoms.

Publication Date:
Other Number(s):
mp-1198383
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; Ho2B3O8; B-Ho-O
OSTI Identifier:
1677017
DOI:
https://doi.org/10.17188/1677017

Citation Formats

The Materials Project. Materials Data on Ho2B3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677017.
The Materials Project. Materials Data on Ho2B3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1677017
The Materials Project. 2020. "Materials Data on Ho2B3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1677017. https://www.osti.gov/servlets/purl/1677017. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1677017,
title = {Materials Data on Ho2B3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2B3O8 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.31–2.42 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.48 Å) and two longer (1.49 Å) B–O bond length. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ho and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ho and one B atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and two equivalent B atoms.},
doi = {10.17188/1677017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}