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Title: Materials Data on Ca5Pt2 by Materials Project

Abstract

Ca5Pt2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.89–3.50 Å. In the second Ca site, Ca is bonded to four equivalent Pt atoms to form distorted edge-sharing CaPt4 tetrahedra. There are two shorter (3.01 Å) and two longer (3.07 Å) Ca–Pt bond lengths. In the third Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.94–3.12 Å. Pt is bonded in a 7-coordinate geometry to eight Ca atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1103570
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; Ca5Pt2; Ca-Pt
OSTI Identifier:
1672981
DOI:
10.17188/1672981

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca5Pt2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672981.
Persson, Kristin, & Project, Materials. Materials Data on Ca5Pt2 by Materials Project. United States. doi:10.17188/1672981.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca5Pt2 by Materials Project". United States. doi:10.17188/1672981. https://www.osti.gov/servlets/purl/1672981. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672981,
title = {Materials Data on Ca5Pt2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca5Pt2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.89–3.50 Å. In the second Ca site, Ca is bonded to four equivalent Pt atoms to form distorted edge-sharing CaPt4 tetrahedra. There are two shorter (3.01 Å) and two longer (3.07 Å) Ca–Pt bond lengths. In the third Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.94–3.12 Å. Pt is bonded in a 7-coordinate geometry to eight Ca atoms.},
doi = {10.17188/1672981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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