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Title: Materials Data on La2CO5 by Materials Project

Abstract

La2O2CO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.94 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.95 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In themore » second O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fifth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the eighth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-555349
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; La2CO5; C-La-O
OSTI Identifier:
1268764
DOI:
10.17188/1268764

Citation Formats

The Materials Project. Materials Data on La2CO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268764.
The Materials Project. Materials Data on La2CO5 by Materials Project. United States. doi:10.17188/1268764.
The Materials Project. 2020. "Materials Data on La2CO5 by Materials Project". United States. doi:10.17188/1268764. https://www.osti.gov/servlets/purl/1268764. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268764,
title = {Materials Data on La2CO5 by Materials Project},
author = {The Materials Project},
abstractNote = {La2O2CO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.94 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.95 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fifth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the eighth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1268764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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