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Title: Materials Data on CaLa4Si3O13 by Materials Project

Abstract

CaLa4Si3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.46–2.92 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.88 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.81 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two La3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two equivalent La3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry tomore » three La3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two La3+, and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-1227220
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; CaLa4Si3O13; Ca-La-O-Si
OSTI Identifier:
1677245
DOI:
https://doi.org/10.17188/1677245

Citation Formats

The Materials Project. Materials Data on CaLa4Si3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677245.
The Materials Project. Materials Data on CaLa4Si3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1677245
The Materials Project. 2020. "Materials Data on CaLa4Si3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1677245. https://www.osti.gov/servlets/purl/1677245. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677245,
title = {Materials Data on CaLa4Si3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLa4Si3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.46–2.92 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.88 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.81 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two La3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two equivalent La3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two La3+, and one Si4+ atom.},
doi = {10.17188/1677245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}