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Title: Materials Data on TiPt3 by Materials Project

Abstract

Pt3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to twelve equivalent Pt+0.67- atoms to form TiPt12 cuboctahedra that share corners with six equivalent TiPt12 cuboctahedra, corners with twelve equivalent PtTi4Pt8 cuboctahedra, edges with eighteen equivalent PtTi4Pt8 cuboctahedra, faces with eight equivalent TiPt12 cuboctahedra, and faces with twelve equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.81 Å) Ti–Pt bond lengths. Pt+0.67- is bonded to four equivalent Ti2+ and eight equivalent Pt+0.67- atoms to form distorted PtTi4Pt8 cuboctahedra that share corners with four equivalent TiPt12 cuboctahedra, corners with fourteen equivalent PtTi4Pt8 cuboctahedra, edges with six equivalent TiPt12 cuboctahedra, edges with twelve equivalent PtTi4Pt8 cuboctahedra, faces with four equivalent TiPt12 cuboctahedra, and faces with sixteen equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.82 Å) Pt–Pt bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-972220
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; TiPt3; Pt-Ti
OSTI Identifier:
1313782
DOI:
https://doi.org/10.17188/1313782

Citation Formats

The Materials Project. Materials Data on TiPt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313782.
The Materials Project. Materials Data on TiPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1313782
The Materials Project. 2020. "Materials Data on TiPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1313782. https://www.osti.gov/servlets/purl/1313782. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313782,
title = {Materials Data on TiPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to twelve equivalent Pt+0.67- atoms to form TiPt12 cuboctahedra that share corners with six equivalent TiPt12 cuboctahedra, corners with twelve equivalent PtTi4Pt8 cuboctahedra, edges with eighteen equivalent PtTi4Pt8 cuboctahedra, faces with eight equivalent TiPt12 cuboctahedra, and faces with twelve equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.81 Å) Ti–Pt bond lengths. Pt+0.67- is bonded to four equivalent Ti2+ and eight equivalent Pt+0.67- atoms to form distorted PtTi4Pt8 cuboctahedra that share corners with four equivalent TiPt12 cuboctahedra, corners with fourteen equivalent PtTi4Pt8 cuboctahedra, edges with six equivalent TiPt12 cuboctahedra, edges with twelve equivalent PtTi4Pt8 cuboctahedra, faces with four equivalent TiPt12 cuboctahedra, and faces with sixteen equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.82 Å) Pt–Pt bond lengths.},
doi = {10.17188/1313782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}