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Title: Materials Data on Sr2La2MnZnO8 by Materials Project

Abstract

Sr2La2MnZnO8 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 2.49–2.80 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 2.38–2.80 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 2.43–2.83 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.81 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mn–O bond distances ranging from 1.89–2.16 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedralmore » tilt angles are 1°. There are a spread of Zn–O bond distances ranging from 2.03–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Zn2+ atom to form distorted OSr3La2Zn octahedra that share corners with sixteen OSr2La2MnZn octahedra, edges with six OSr3La2Mn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 12–55°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Mn4+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr2La2MnZn octahedra, edges with four OSr3La2Zn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Mn4+ atom to form distorted OSr2La3Mn octahedra that share corners with seventeen OSr2La2MnZn octahedra, edges with six OSr3La2Zn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to two Sr2+, two La3+, one Mn4+, and one Zn2+ atom to form distorted OSr2La2MnZn octahedra that share corners with eleven OSr3La2Zn octahedra, edges with two equivalent OSr2La2MnZn octahedra, and faces with seven OSr3La2Zn octahedra. The corner-sharing octahedra tilt angles range from 1–55°.« less

Publication Date:
Other Number(s):
mp-1218782
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; Sr2La2MnZnO8; La-Mn-O-Sr-Zn
OSTI Identifier:
1749139
DOI:
https://doi.org/10.17188/1749139

Citation Formats

The Materials Project. Materials Data on Sr2La2MnZnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749139.
The Materials Project. Materials Data on Sr2La2MnZnO8 by Materials Project. United States. doi:https://doi.org/10.17188/1749139
The Materials Project. 2020. "Materials Data on Sr2La2MnZnO8 by Materials Project". United States. doi:https://doi.org/10.17188/1749139. https://www.osti.gov/servlets/purl/1749139. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749139,
title = {Materials Data on Sr2La2MnZnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2La2MnZnO8 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 2.49–2.80 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 2.38–2.80 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 2.43–2.83 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.81 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mn–O bond distances ranging from 1.89–2.16 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Zn–O bond distances ranging from 2.03–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Zn2+ atom to form distorted OSr3La2Zn octahedra that share corners with sixteen OSr2La2MnZn octahedra, edges with six OSr3La2Mn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 12–55°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Mn4+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr2La2MnZn octahedra, edges with four OSr3La2Zn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three La3+, and one Mn4+ atom to form distorted OSr2La3Mn octahedra that share corners with seventeen OSr2La2MnZn octahedra, edges with six OSr3La2Zn octahedra, and faces with four equivalent OSr2La2MnZn octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to two Sr2+, two La3+, one Mn4+, and one Zn2+ atom to form distorted OSr2La2MnZn octahedra that share corners with eleven OSr3La2Zn octahedra, edges with two equivalent OSr2La2MnZn octahedra, and faces with seven OSr3La2Zn octahedra. The corner-sharing octahedra tilt angles range from 1–55°.},
doi = {10.17188/1749139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}