skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on La8Cu3O16 by Materials Project

Abstract

(La4CuO7)2CuO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one copper(ii) hydroxide molecule and one La4CuO7 framework. In the La4CuO7 framework, there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.98–2.43 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.90–2.43 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.84–2.42 Å. In the fourth La3+ site, La3+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 1.92–3.01 Å. In the fifth La3+ site, La3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.97–2.46 Å. In the sixth La3+ site, La3+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.00–2.44more » Å. In the seventh La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 1.89–3.00 Å. In the eighth La3+ site, La3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.98–2.45 Å. There are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–2.52 Å. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–2.52 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to three La3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two La3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two La3+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two Cu+2.67+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to two Cu+2.67+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the fourteenth O2- site, O2- is bonded in a distorted linear geometry to three La3+ atoms.« less

Publication Date:
Other Number(s):
mp-776310
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; La8Cu3O16; Cu-La-O
OSTI Identifier:
1304220
DOI:
https://doi.org/10.17188/1304220

Citation Formats

The Materials Project. Materials Data on La8Cu3O16 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1304220.
The Materials Project. Materials Data on La8Cu3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1304220
The Materials Project. 2017. "Materials Data on La8Cu3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1304220. https://www.osti.gov/servlets/purl/1304220. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1304220,
title = {Materials Data on La8Cu3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {(La4CuO7)2CuO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one copper(ii) hydroxide molecule and one La4CuO7 framework. In the La4CuO7 framework, there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.98–2.43 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.90–2.43 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.84–2.42 Å. In the fourth La3+ site, La3+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 1.92–3.01 Å. In the fifth La3+ site, La3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.97–2.46 Å. In the sixth La3+ site, La3+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.00–2.44 Å. In the seventh La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 1.89–3.00 Å. In the eighth La3+ site, La3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.98–2.45 Å. There are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–2.52 Å. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–2.52 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to three La3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two La3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two La3+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two Cu+2.67+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to two Cu+2.67+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one Cu+2.67+ atom. In the fourteenth O2- site, O2- is bonded in a distorted linear geometry to three La3+ atoms.},
doi = {10.17188/1304220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}