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Title: Materials Data on Mn2Pt2O5 by Materials Project

Abstract

Mn2Pt2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.05 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.16 Å. In the second Pt3+ site, Pt3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn2+ and two equivalent Pt3+ atoms to form OMn2Pt2 tetrahedra that share corners with two equivalent OMn2Pt4 octahedra, corners with ten equivalent OMn2Pt2 tetrahedra, and edges with five equivalent OMn2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Pt3+ atoms to form OMn2Pt4 octahedra that share corners with four equivalent OMn2Pt4 octahedra, corners with eight equivalent OMn2Pt2 tetrahedra, and edges with four equivalent OMn2Pt4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1185978
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; Mn2Pt2O5; Mn-O-Pt
OSTI Identifier:
1717251
DOI:
https://doi.org/10.17188/1717251

Citation Formats

The Materials Project. Materials Data on Mn2Pt2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717251.
The Materials Project. Materials Data on Mn2Pt2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1717251
The Materials Project. 2020. "Materials Data on Mn2Pt2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1717251. https://www.osti.gov/servlets/purl/1717251. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1717251,
title = {Materials Data on Mn2Pt2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2Pt2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.05 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.16 Å. In the second Pt3+ site, Pt3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn2+ and two equivalent Pt3+ atoms to form OMn2Pt2 tetrahedra that share corners with two equivalent OMn2Pt4 octahedra, corners with ten equivalent OMn2Pt2 tetrahedra, and edges with five equivalent OMn2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Pt3+ atoms to form OMn2Pt4 octahedra that share corners with four equivalent OMn2Pt4 octahedra, corners with eight equivalent OMn2Pt2 tetrahedra, and edges with four equivalent OMn2Pt4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1717251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}