Materials Data on Ce3(Sn3Pd2)2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1739627· OSTI ID:1739627

Ce3Pd4Sn6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.42–3.52 Å. There are a spread of Ce–Sn bond distances ranging from 3.45–3.75 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.49–3.67 Å. There are a spread of Ce–Sn bond distances ranging from 3.40–3.71 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.33–3.58 Å. There are a spread of Ce–Sn bond distances ranging from 3.27–3.71 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four Ce and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.68–2.76 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to four Ce and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.59–2.73 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.62–2.75 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.65–2.84 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Ce, three Pd, and one Sn atom. The Sn–Sn bond length is 3.05 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Ce, three equivalent Pd, and one Sn atom. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Ce and four Pd atoms. In the fourth Sn site, Sn is bonded in a distorted trigonal planar geometry to five Ce and three Pd atoms. In the fifth Sn site, Sn is bonded in a 3-coordinate geometry to six Ce and three Pd atoms. In the sixth Sn site, Sn is bonded in a 4-coordinate geometry to four Ce and four Pd atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1739627
• Report Number(s): mp-1215117
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Pd-Sn
Ce3(Sn3Pd2)2
crystal structure