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Title: Materials Data on SrLa3(Cu2O5)2 by Materials Project

Abstract

SrLa3(Cu2O5)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.92 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.51–2.92 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.91 Å. In the third La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.89 Å. There are four inequivalent Cu+2.25+ sites. In the first Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.88–2.20 Å. In the second Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.27 Å. In the third Cu+2.25+ site, Cu+2.25+ is bonded tomore » five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.27 Å. In the fourth Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.90–2.29 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two equivalent Cu+2.25+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Cu+2.25+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two La3+, and two equivalent Cu+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, three La3+, and two equivalent Cu+2.25+ atoms. In the fifth O2- site, O2- is bonded to four La3+ and two Cu+2.25+ atoms to form distorted edge-sharing OLa4Cu2 octahedra. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms to form distorted edge-sharing OSr2La2Cu2 octahedra. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four La3+ and two Cu+2.25+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four La3+ and two Cu+2.25+ atoms.« less

Publication Date:
Other Number(s):
mp-1218269
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; SrLa3(Cu2O5)2; Cu-La-O-Sr
OSTI Identifier:
1652981
DOI:
https://doi.org/10.17188/1652981

Citation Formats

The Materials Project. Materials Data on SrLa3(Cu2O5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652981.
The Materials Project. Materials Data on SrLa3(Cu2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652981
The Materials Project. 2020. "Materials Data on SrLa3(Cu2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652981. https://www.osti.gov/servlets/purl/1652981. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652981,
title = {Materials Data on SrLa3(Cu2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLa3(Cu2O5)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.92 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.51–2.92 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.91 Å. In the third La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.89 Å. There are four inequivalent Cu+2.25+ sites. In the first Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.88–2.20 Å. In the second Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.27 Å. In the third Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.27 Å. In the fourth Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.90–2.29 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two equivalent Cu+2.25+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Cu+2.25+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two La3+, and two equivalent Cu+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, three La3+, and two equivalent Cu+2.25+ atoms. In the fifth O2- site, O2- is bonded to four La3+ and two Cu+2.25+ atoms to form distorted edge-sharing OLa4Cu2 octahedra. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms to form distorted edge-sharing OSr2La2Cu2 octahedra. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four La3+ and two Cu+2.25+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Cu+2.25+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four La3+ and two Cu+2.25+ atoms.},
doi = {10.17188/1652981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}