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Title: Materials Data on Y(BO2)6 by Materials Project

Abstract

Y(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.36–2.49 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one B atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Y and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.

Publication Date:
Other Number(s):
mp-1200404
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; Y(BO2)6; B-O-Y
OSTI Identifier:
1751048
DOI:
https://doi.org/10.17188/1751048

Citation Formats

The Materials Project. Materials Data on Y(BO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751048.
The Materials Project. Materials Data on Y(BO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1751048
The Materials Project. 2020. "Materials Data on Y(BO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1751048. https://www.osti.gov/servlets/purl/1751048. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751048,
title = {Materials Data on Y(BO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.36–2.49 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one B atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Y and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.},
doi = {10.17188/1751048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}