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Title: Materials Data on Y(CO3)2 by Materials Project

Abstract

Y(CO3)2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.38–2.50 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.37–2.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.25 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Y and one C atom. In the second O site, O is bonded in a distorted T-shaped geometry to two Y and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to two Y and one Cmore » atom. In the fourth O site, O is bonded in a single-bond geometry to one Y atom. In the fifth O site, O is bonded in a single-bond geometry to one Y atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom.« less

Publication Date:
Other Number(s):
mp-1200903
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(CO3)2; C-O-Y
OSTI Identifier:
1678029
DOI:
https://doi.org/10.17188/1678029

Citation Formats

The Materials Project. Materials Data on Y(CO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678029.
The Materials Project. Materials Data on Y(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678029
The Materials Project. 2020. "Materials Data on Y(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678029. https://www.osti.gov/servlets/purl/1678029. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1678029,
title = {Materials Data on Y(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CO3)2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.38–2.50 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.37–2.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.25 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Y and one C atom. In the second O site, O is bonded in a distorted T-shaped geometry to two Y and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to two Y and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one Y atom. In the fifth O site, O is bonded in a single-bond geometry to one Y atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom.},
doi = {10.17188/1678029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}