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Title: Materials Data on YbB4O7 by Materials Project

Abstract

YbB4O7 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Yb–O bond distances ranging from 2.38–2.58 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.54 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb2+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms.

Publication Date:
Other Number(s):
mp-752484
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; YbB4O7; B-O-Yb
OSTI Identifier:
1288611
DOI:
https://doi.org/10.17188/1288611

Citation Formats

The Materials Project. Materials Data on YbB4O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288611.
The Materials Project. Materials Data on YbB4O7 by Materials Project. United States. doi:https://doi.org/10.17188/1288611
The Materials Project. 2020. "Materials Data on YbB4O7 by Materials Project". United States. doi:https://doi.org/10.17188/1288611. https://www.osti.gov/servlets/purl/1288611. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288611,
title = {Materials Data on YbB4O7 by Materials Project},
author = {The Materials Project},
abstractNote = {YbB4O7 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Yb–O bond distances ranging from 2.38–2.58 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.54 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb2+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms.},
doi = {10.17188/1288611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}