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Title: Materials Data on In9Pt13 by Materials Project

Abstract

Pt13In9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.89+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.03 Å. There are a spread of Pt–In bond distances ranging from 2.71–2.89 Å. In the second Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Pt2- and six In+2.89+ atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.71–2.88 Å. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to six Pt2- and seven In+2.89+ atoms. The Pt–Pt bond length is 2.86 Å. There are a spread of Pt–In bond distances ranging from 2.82–3.32 Å. In the fourth Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Pt2- and six In+2.89+ atoms. Both Pt–Pt bond lengths are 2.84 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the fifth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to formmore » distorted face-sharing PtIn6Pt6 cuboctahedra. There are four shorter (2.86 Å) and two longer (3.02 Å) Pt–In bond lengths. In the sixth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to form a mixture of distorted face and corner-sharing PtIn6Pt6 cuboctahedra. There are a spread of Pt–In bond distances ranging from 2.84–2.99 Å. There are four inequivalent In+2.89+ sites. In the first In+2.89+ site, In+2.89+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. In the second In+2.89+ site, In+2.89+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the third In+2.89+ site, In+2.89+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fourth In+2.89+ site, In+2.89+ is bonded in a body-centered cubic geometry to eight Pt2- atoms.« less

Publication Date:
Other Number(s):
mp-571060
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; In9Pt13; In-Pt
OSTI Identifier:
1276071
DOI:
https://doi.org/10.17188/1276071

Citation Formats

The Materials Project. Materials Data on In9Pt13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276071.
The Materials Project. Materials Data on In9Pt13 by Materials Project. United States. doi:https://doi.org/10.17188/1276071
The Materials Project. 2020. "Materials Data on In9Pt13 by Materials Project". United States. doi:https://doi.org/10.17188/1276071. https://www.osti.gov/servlets/purl/1276071. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276071,
title = {Materials Data on In9Pt13 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt13In9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.89+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.03 Å. There are a spread of Pt–In bond distances ranging from 2.71–2.89 Å. In the second Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Pt2- and six In+2.89+ atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.71–2.88 Å. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to six Pt2- and seven In+2.89+ atoms. The Pt–Pt bond length is 2.86 Å. There are a spread of Pt–In bond distances ranging from 2.82–3.32 Å. In the fourth Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Pt2- and six In+2.89+ atoms. Both Pt–Pt bond lengths are 2.84 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the fifth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to form distorted face-sharing PtIn6Pt6 cuboctahedra. There are four shorter (2.86 Å) and two longer (3.02 Å) Pt–In bond lengths. In the sixth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to form a mixture of distorted face and corner-sharing PtIn6Pt6 cuboctahedra. There are a spread of Pt–In bond distances ranging from 2.84–2.99 Å. There are four inequivalent In+2.89+ sites. In the first In+2.89+ site, In+2.89+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. In the second In+2.89+ site, In+2.89+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the third In+2.89+ site, In+2.89+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fourth In+2.89+ site, In+2.89+ is bonded in a body-centered cubic geometry to eight Pt2- atoms.},
doi = {10.17188/1276071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}