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Title: Materials Data on CaPt5 by Materials Project

Abstract

CaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.40- atoms. There are six shorter (3.12 Å) and twelve longer (3.49 Å) Ca–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 3-coordinate geometry to three equivalent Ca2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.71 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ca2+ and eight Pt+0.40- atoms to form a mixture of face, edge, and corner-sharing PtCa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.

Publication Date:
Other Number(s):
mp-30481
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; CaPt5; Ca-Pt
OSTI Identifier:
1204887
DOI:
https://doi.org/10.17188/1204887

Citation Formats

The Materials Project. Materials Data on CaPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204887.
The Materials Project. Materials Data on CaPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1204887
The Materials Project. 2020. "Materials Data on CaPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1204887. https://www.osti.gov/servlets/purl/1204887. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204887,
title = {Materials Data on CaPt5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.40- atoms. There are six shorter (3.12 Å) and twelve longer (3.49 Å) Ca–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 3-coordinate geometry to three equivalent Ca2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.71 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ca2+ and eight Pt+0.40- atoms to form a mixture of face, edge, and corner-sharing PtCa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.},
doi = {10.17188/1204887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}