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Title: Materials Data on YC3O8 by Materials Project

Abstract

YC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.18–2.71 Å. There are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. In the second C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.29 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a linear geometry to one Y and one C atom. In the third O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ymore » and one C atom. In the fifth O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Y and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Y and one C atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1197362
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; YC3O8; C-O-Y
OSTI Identifier:
1666565
DOI:
https://doi.org/10.17188/1666565

Citation Formats

The Materials Project. Materials Data on YC3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666565.
The Materials Project. Materials Data on YC3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1666565
The Materials Project. 2020. "Materials Data on YC3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1666565. https://www.osti.gov/servlets/purl/1666565. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1666565,
title = {Materials Data on YC3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {YC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.18–2.71 Å. There are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. In the second C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.29 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a linear geometry to one Y and one C atom. In the third O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Y and one C atom. In the fifth O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Y and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Y and one C atom.},
doi = {10.17188/1666565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}