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Title: Materials Data on Sr2MnSbO6 by Materials Project

Abstract

Sr2MnSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent SbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.80–2.89 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–O bond distances ranging from 1.95–2.19 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.97 Å) and four longer (2.01 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tiltmore » angles range from 0–4°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tilt angles range from 0–5°.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557296
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; Sr2MnSbO6; Mn-O-Sb-Sr
OSTI Identifier:
1269777
DOI:
10.17188/1269777

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2MnSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269777.
Persson, Kristin, & Project, Materials. Materials Data on Sr2MnSbO6 by Materials Project. United States. doi:10.17188/1269777.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2MnSbO6 by Materials Project". United States. doi:10.17188/1269777. https://www.osti.gov/servlets/purl/1269777. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269777,
title = {Materials Data on Sr2MnSbO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2MnSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent SbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.80–2.89 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–O bond distances ranging from 1.95–2.19 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.97 Å) and four longer (2.01 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},
doi = {10.17188/1269777},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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