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Title: Materials Data on SrLaMnWO6 by Materials Project

Abstract

SrLaMnWO6 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.90 Å) Sr–O bond lengths. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.90 Å) La–O bond lengths. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There is two shorter (1.94 Å) and four longer (2.05 Å) W–O bond length. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.11 Å) and four longer (2.19 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one W5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one La3+, one W5+, and one Mn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-39626
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; SrLaMnWO6; La-Mn-O-Sr-W
OSTI Identifier:
1207680
DOI:
10.17188/1207680

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrLaMnWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207680.
Persson, Kristin, & Project, Materials. Materials Data on SrLaMnWO6 by Materials Project. United States. doi:10.17188/1207680.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrLaMnWO6 by Materials Project". United States. doi:10.17188/1207680. https://www.osti.gov/servlets/purl/1207680. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207680,
title = {Materials Data on SrLaMnWO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrLaMnWO6 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.90 Å) Sr–O bond lengths. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.90 Å) La–O bond lengths. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There is two shorter (1.94 Å) and four longer (2.05 Å) W–O bond length. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.11 Å) and four longer (2.19 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one W5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one La3+, one W5+, and one Mn2+ atom.},
doi = {10.17188/1207680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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