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Title: Materials Data on Mn(PtO2)3 by Materials Project

Abstract

MnPt3O6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.24 Å) and four longer (2.46 Å) Mn–O bond lengths. There are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.00 Å. In the second Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mn2+ and three Pt+3.33+ atoms to form a mixture of distorted edge and corner-sharing OMnPt3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Mn2+ and two equivalent Pt+3.33+ atoms to form a mixture of edge and corner-sharing OMn2Pt2 tetrahedra.

Publication Date:
Other Number(s):
mp-18971
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; Mn(PtO2)3; Mn-O-Pt
OSTI Identifier:
1193746
DOI:
https://doi.org/10.17188/1193746

Citation Formats

The Materials Project. Materials Data on Mn(PtO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1193746.
The Materials Project. Materials Data on Mn(PtO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1193746
The Materials Project. 2019. "Materials Data on Mn(PtO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1193746. https://www.osti.gov/servlets/purl/1193746. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1193746,
title = {Materials Data on Mn(PtO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {MnPt3O6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.24 Å) and four longer (2.46 Å) Mn–O bond lengths. There are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.00 Å. In the second Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mn2+ and three Pt+3.33+ atoms to form a mixture of distorted edge and corner-sharing OMnPt3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Mn2+ and two equivalent Pt+3.33+ atoms to form a mixture of edge and corner-sharing OMn2Pt2 tetrahedra.},
doi = {10.17188/1193746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}