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Title: Materials Data on SrLaMnMoO6 by Materials Project

Abstract

(SrLa)(MnMo)O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.86 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.97 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mo–O bond distances ranging from 1.96–2.06 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 2.15–2.25 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one La3+, one Mo5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnMo tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Mo5+, and one Mn2+ atom. In the third O2-more » site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Mo5+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Mo5+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Mo5+, and one Mn2+ atom. In the sixth O2- site, O2- is bonded to one Sr2+, one La3+, one Mo5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnMo tetrahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1284530
Report Number(s):
mp-690552
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; SrLaMnMoO6; La-Mn-Mo-O-Sr

Citation Formats

The Materials Project. Materials Data on SrLaMnMoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284530.
The Materials Project. Materials Data on SrLaMnMoO6 by Materials Project. United States. https://doi.org/10.17188/1284530
The Materials Project. 2020. "Materials Data on SrLaMnMoO6 by Materials Project". United States. https://doi.org/10.17188/1284530. https://www.osti.gov/servlets/purl/1284530.
@article{osti_1284530,
title = {Materials Data on SrLaMnMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {(SrLa)(MnMo)O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.86 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.97 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mo–O bond distances ranging from 1.96–2.06 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 2.15–2.25 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one La3+, one Mo5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnMo tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Mo5+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Mo5+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Mo5+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Mo5+, and one Mn2+ atom. In the sixth O2- site, O2- is bonded to one Sr2+, one La3+, one Mo5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnMo tetrahedra.},
doi = {10.17188/1284530},
url = {https://www.osti.gov/biblio/1284530}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}