Materials Data on Ce5(In2Pt)2 by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1281740· OSTI ID:1281740

Ce5(PtIn2)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are ten inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.35–3.41 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.04 Å) Ce–Pt bond lengths. There are four shorter (3.42 Å) and two longer (3.45 Å) Ce–In bond lengths. In the third Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are four shorter (3.42 Å) and two longer (3.45 Å) Ce–In bond lengths. In the fourth Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.35–3.41 Å. In the fifth Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.43 Å. In the sixth Ce site, Ce is bonded in a distorted body-centered cubic geometry to eight In atoms. There are a spread of Ce–In bond distances ranging from 3.29–3.39 Å. In the seventh Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.98 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.43 Å. In the eighth Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are a spread of Ce–In bond distances ranging from 3.42–3.46 Å. In the ninth Ce site, Ce is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.30 Å) and four longer (3.37 Å) Ce–In bond lengths. In the tenth Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.01 Å) and two longer (3.02 Å) Ce–Pt bond lengths. There are a spread of Ce–In bond distances ranging from 3.42–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are a spread of Pt–In bond distances ranging from 2.97–3.45 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are two shorter (2.98 Å) and one longer (3.46 Å) Pt–In bond lengths. In the third Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are two shorter (2.98 Å) and one longer (3.45 Å) Pt–In bond lengths. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are a spread of Pt–In bond distances ranging from 2.97–3.45 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. The In–In bond length is 3.24 Å. In the third In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. The In–In bond length is 3.27 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. The In–In bond length is 3.27 Å. In the fifth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. In the sixth In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. In the seventh In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. In the eighth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom.

• 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: 1281740
• Report Number(s): mp-670677
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-In-Pt
Ce5(In2Pt)2
crystal structure