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Title: Materials Data on Mg2PtO4 by Materials Project

Abstract

Mg2PtO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are two shorter (1.97 Å) and two longer (2.07 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent PtO6 octahedra. There are four shorter (2.07 Å) and two longer (2.14 Å) Mg–O bond lengths. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent PtO6 octahedra, and edges with four equivalent MgO6 octahedra. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Mg2+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Pt2 trigonal pyramids. Inmore » the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Pt4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-33940
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; Mg2PtO4; Mg-O-Pt
OSTI Identifier:
1206684
DOI:
10.17188/1206684

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg2PtO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1206684.
Persson, Kristin, & Project, Materials. Materials Data on Mg2PtO4 by Materials Project. United States. doi:10.17188/1206684.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Mg2PtO4 by Materials Project". United States. doi:10.17188/1206684. https://www.osti.gov/servlets/purl/1206684. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1206684,
title = {Materials Data on Mg2PtO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg2PtO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are two shorter (1.97 Å) and two longer (2.07 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent PtO6 octahedra. There are four shorter (2.07 Å) and two longer (2.14 Å) Mg–O bond lengths. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent PtO6 octahedra, and edges with four equivalent MgO6 octahedra. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Mg2+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Pt2 trigonal pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Pt4+ atom.},
doi = {10.17188/1206684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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