DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Y(CO2)3 by Materials Project

Abstract

Y(CO2)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.38 Å) and six longer (2.51 Å) Y–O bond lengths. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Y3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Y3+ and one C3+ atom.

Publication Date:
Other Number(s):
mp-1079692
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(CO2)3; C-O-Y
OSTI Identifier:
1662561
DOI:
https://doi.org/10.17188/1662561

Citation Formats

The Materials Project. Materials Data on Y(CO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662561.
The Materials Project. Materials Data on Y(CO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1662561
The Materials Project. 2020. "Materials Data on Y(CO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1662561. https://www.osti.gov/servlets/purl/1662561. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1662561,
title = {Materials Data on Y(CO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CO2)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.38 Å) and six longer (2.51 Å) Y–O bond lengths. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Y3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Y3+ and one C3+ atom.},
doi = {10.17188/1662561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}