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Title: Materials Data on Ce(PPt2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277578· OSTI ID:1277578

Ce(Pt2P)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.10–3.25 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four equivalent Ce4+ and three P2+ atoms. There are a spread of Pt–P bond distances ranging from 2.34–2.45 Å. In the second Pt2- site, Pt2- is bonded in a 2-coordinate geometry to one Ce4+ and three equivalent P2+ atoms. There are two shorter (2.35 Å) and one longer (2.69 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Ce4+ and three P2+ atoms. There are two shorter (2.41 Å) and one longer (2.81 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and two P2+ atoms. There are one shorter (2.33 Å) and one longer (2.40 Å) Pt–P bond lengths. There are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P2+ site, P2+ is bonded in a 6-coordinate geometry to six Pt2- atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1277578
Report Number(s):
mp-607725
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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