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Title: Materials Data on Y(CO2)4 by Materials Project

Abstract

Y(CO2)4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one Y(CO2)4 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Y–O bond lengths. C+3.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one C+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one C+3.25+ atom.

Publication Date:
Other Number(s):
mp-1194169
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)4; C-O-Y
OSTI Identifier:
1759412
DOI:
https://doi.org/10.17188/1759412

Citation Formats

The Materials Project. Materials Data on Y(CO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759412.
The Materials Project. Materials Data on Y(CO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1759412
The Materials Project. 2020. "Materials Data on Y(CO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1759412. https://www.osti.gov/servlets/purl/1759412. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759412,
title = {Materials Data on Y(CO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CO2)4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one Y(CO2)4 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Y–O bond lengths. C+3.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one C+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one C+3.25+ atom.},
doi = {10.17188/1759412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}