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Title: Materials Data on SrLaVO4 by Materials Project

Abstract

SrLaVO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.80 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.82 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.96–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent V3+ atoms to form distorted OSr2La2V2 octahedra that share corners with fourteen OSr2La3V octahedra, edges with two equivalent OSr2La2V2 octahedra, and faces with eight OSr2La3V octahedra. The corner-sharing octahedra tilt angles range from 1–55°. In the second O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one V3+ atom to form distorted OSr2La3V octahedra that share corners with seventeen OSr2La3V octahedra, edges with eight OSr2La3V octahedra, and faces with four equivalent OSr2La2V2 octahedra. The corner-sharing octahedra tilt angles rangemore » from 0–53°. In the third O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one V3+ atom to form distorted OSr3La2V octahedra that share corners with seventeen OSr2La3V octahedra, edges with eight OSr2La3V octahedra, and faces with four equivalent OSr2La2V2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218174
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; SrLaVO4; La-O-Sr-V
OSTI Identifier:
1718517
DOI:
https://doi.org/10.17188/1718517

Citation Formats

The Materials Project. Materials Data on SrLaVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718517.
The Materials Project. Materials Data on SrLaVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1718517
The Materials Project. 2020. "Materials Data on SrLaVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1718517. https://www.osti.gov/servlets/purl/1718517. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1718517,
title = {Materials Data on SrLaVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLaVO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.80 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.82 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.96–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent V3+ atoms to form distorted OSr2La2V2 octahedra that share corners with fourteen OSr2La3V octahedra, edges with two equivalent OSr2La2V2 octahedra, and faces with eight OSr2La3V octahedra. The corner-sharing octahedra tilt angles range from 1–55°. In the second O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one V3+ atom to form distorted OSr2La3V octahedra that share corners with seventeen OSr2La3V octahedra, edges with eight OSr2La3V octahedra, and faces with four equivalent OSr2La2V2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one V3+ atom to form distorted OSr3La2V octahedra that share corners with seventeen OSr2La3V octahedra, edges with eight OSr2La3V octahedra, and faces with four equivalent OSr2La2V2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},
doi = {10.17188/1718517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}