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Title: Materials Data on La2C3O17 by Materials Project

Abstract

La2C2O11CO2(O2)2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four carbon dioxide molecules; eight hydrogen peroxide molecules; and two La2C2O11 sheets oriented in the (0, 0, 1) direction. In each La2C2O11 sheet, there are two inequivalent La sites. In the first La site, La is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.64 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the second O site, O is bonded in an L-shaped geometry to one La and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In themore » fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one La and one O atom. The O–O bond length is 1.34 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1181011
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; La2C3O17; C-La-O
OSTI Identifier:
1667293
DOI:
https://doi.org/10.17188/1667293

Citation Formats

The Materials Project. Materials Data on La2C3O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667293.
The Materials Project. Materials Data on La2C3O17 by Materials Project. United States. doi:https://doi.org/10.17188/1667293
The Materials Project. 2020. "Materials Data on La2C3O17 by Materials Project". United States. doi:https://doi.org/10.17188/1667293. https://www.osti.gov/servlets/purl/1667293. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1667293,
title = {Materials Data on La2C3O17 by Materials Project},
author = {The Materials Project},
abstractNote = {La2C2O11CO2(O2)2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four carbon dioxide molecules; eight hydrogen peroxide molecules; and two La2C2O11 sheets oriented in the (0, 0, 1) direction. In each La2C2O11 sheet, there are two inequivalent La sites. In the first La site, La is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.64 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the second O site, O is bonded in an L-shaped geometry to one La and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one La and one O atom. The O–O bond length is 1.34 Å.},
doi = {10.17188/1667293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}