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Title: Materials Data on In2Pt3 by Materials Project

Abstract

Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510439
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; In2Pt3; In-Pt
OSTI Identifier:
1262927
DOI:
10.17188/1262927

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on In2Pt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262927.
Persson, Kristin, & Project, Materials. Materials Data on In2Pt3 by Materials Project. United States. doi:10.17188/1262927.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on In2Pt3 by Materials Project". United States. doi:10.17188/1262927. https://www.osti.gov/servlets/purl/1262927. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262927,
title = {Materials Data on In2Pt3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- atoms.},
doi = {10.17188/1262927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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