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Title: Materials Data on Sr2Cu3O5 by Materials Project

Abstract

Sr2Cu3O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.63 Å) and two longer (2.74 Å) Sr–O bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.98–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the third O2- site, O2- is bonded to two equivalent Sr2+ andmore » four equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Cu4 octahedra. The corner-sharing octahedra tilt angles range from 2–65°.« less

Publication Date:
Other Number(s):
mp-5700
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; Sr2Cu3O5; Cu-O-Sr
OSTI Identifier:
1275408
DOI:
10.17188/1275408

Citation Formats

The Materials Project. Materials Data on Sr2Cu3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275408.
The Materials Project. Materials Data on Sr2Cu3O5 by Materials Project. United States. doi:10.17188/1275408.
The Materials Project. 2020. "Materials Data on Sr2Cu3O5 by Materials Project". United States. doi:10.17188/1275408. https://www.osti.gov/servlets/purl/1275408. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275408,
title = {Materials Data on Sr2Cu3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Cu3O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.63 Å) and two longer (2.74 Å) Sr–O bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.98–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the third O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Cu4 octahedra. The corner-sharing octahedra tilt angles range from 2–65°.},
doi = {10.17188/1275408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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