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Title: Materials Data on Ce2Si4Pt7 by Materials Project

Abstract

Ce2Pt7Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.09–3.71 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.12–3.65 Å. There are seven inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to three equivalent Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.37–2.79 Å. In the second Pt2- site, Pt2- is bonded to four Ce3+ and four Si2+ atoms to form a mixture of distorted face and edge-sharing PtCe4Si4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.54 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.86 Å. In the fourth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Ce3+ and four Si2+ atoms.more » There are a spread of Pt–Si bond distances ranging from 2.38–2.57 Å. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three Ce3+ and three Si2+ atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the sixth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three equivalent Ce3+ and three Si2+ atoms. All Pt–Si bond lengths are 2.48 Å. In the seventh Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two Ce3+ and three Si2+ atoms. There are one shorter (2.37 Å) and two longer (2.60 Å) Pt–Si bond lengths. There are four inequivalent Si2+ sites. In the first Si2+ site, Si2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the third Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si2+ site, Si2+ is bonded in a 5-coordinate geometry to five Pt2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-567579
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; Ce2Si4Pt7; Ce-Pt-Si
OSTI Identifier:
1273938
DOI:
https://doi.org/10.17188/1273938

Citation Formats

The Materials Project. Materials Data on Ce2Si4Pt7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273938.
The Materials Project. Materials Data on Ce2Si4Pt7 by Materials Project. United States. doi:https://doi.org/10.17188/1273938
The Materials Project. 2020. "Materials Data on Ce2Si4Pt7 by Materials Project". United States. doi:https://doi.org/10.17188/1273938. https://www.osti.gov/servlets/purl/1273938. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1273938,
title = {Materials Data on Ce2Si4Pt7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Pt7Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.09–3.71 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.12–3.65 Å. There are seven inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to three equivalent Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.37–2.79 Å. In the second Pt2- site, Pt2- is bonded to four Ce3+ and four Si2+ atoms to form a mixture of distorted face and edge-sharing PtCe4Si4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.54 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.86 Å. In the fourth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.57 Å. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three Ce3+ and three Si2+ atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the sixth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three equivalent Ce3+ and three Si2+ atoms. All Pt–Si bond lengths are 2.48 Å. In the seventh Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two Ce3+ and three Si2+ atoms. There are one shorter (2.37 Å) and two longer (2.60 Å) Pt–Si bond lengths. There are four inequivalent Si2+ sites. In the first Si2+ site, Si2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the third Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si2+ site, Si2+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},
doi = {10.17188/1273938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}