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Title: Materials Data on Sr2La2CrNiO8 by Materials Project

Abstract

Sr2La2CrNiO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.77 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 2.31–2.78 Å. In the second 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 2.40–2.79 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Cr–O bond distances ranging from 1.97–2.17 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedralmore » tilt angles are 1°. There are a spread of Ni–O bond distances ranging from 1.92–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Sr2+, two La3+, one Cr4+, and one Ni2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Ni2+ atom to form distorted OSr2La3Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr3La2Cr octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Cr4+ atom to form distorted OSr3La2Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Cr4+ atom to form distorted OSr2La3Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fifth O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Ni2+ atom to form distorted OSr3La2Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218698
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2La2CrNiO8; Cr-La-Ni-O-Sr
OSTI Identifier:
1746410
DOI:
https://doi.org/10.17188/1746410

Citation Formats

The Materials Project. Materials Data on Sr2La2CrNiO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746410.
The Materials Project. Materials Data on Sr2La2CrNiO8 by Materials Project. United States. doi:https://doi.org/10.17188/1746410
The Materials Project. 2020. "Materials Data on Sr2La2CrNiO8 by Materials Project". United States. doi:https://doi.org/10.17188/1746410. https://www.osti.gov/servlets/purl/1746410. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746410,
title = {Materials Data on Sr2La2CrNiO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2La2CrNiO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.77 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 2.31–2.78 Å. In the second 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 2.40–2.79 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Cr–O bond distances ranging from 1.97–2.17 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ni–O bond distances ranging from 1.92–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Sr2+, two La3+, one Cr4+, and one Ni2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Ni2+ atom to form distorted OSr2La3Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr3La2Cr octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Cr4+ atom to form distorted OSr3La2Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Cr4+ atom to form distorted OSr2La3Cr octahedra that share corners with seventeen OSr3La2Cr octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fifth O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Ni2+ atom to form distorted OSr3La2Ni octahedra that share corners with seventeen OSr2La3Ni octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2CrNi octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},
doi = {10.17188/1746410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}