Materials Data on CeGe3Pt5 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1687074· OSTI ID:1687074

CePt5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.22–3.72 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 3-coordinate geometry to one Ce3+, three Pt2-, and five Ge+2.33+ atoms. All Pt–Pt bond lengths are 2.94 Å. There are a spread of Pt–Ge bond distances ranging from 2.50–2.94 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Ce3+, five Pt2-, and four Ge+2.33+ atoms. There are two shorter (2.96 Å) and one longer (2.98 Å) Pt–Pt bond lengths. There are a spread of Pt–Ge bond distances ranging from 2.52–2.70 Å. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to three equivalent Ce3+, two equivalent Pt2-, and four Ge+2.33+ atoms. Both Pt–Pt bond lengths are 2.83 Å. There are a spread of Pt–Ge bond distances ranging from 2.45–2.79 Å. In the fourth Pt2- site, Pt2- is bonded in a 10-coordinate geometry to one Ce3+, five Pt2-, and four Ge+2.33+ atoms. Both Pt–Pt bond lengths are 2.86 Å. There are a spread of Pt–Ge bond distances ranging from 2.53–2.64 Å. In the fifth Pt2- site, Pt2- is bonded in a 4-coordinate geometry to three equivalent Ce3+, three equivalent Pt2-, and four Ge+2.33+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.66 Å. There are three inequivalent Ge+2.33+ sites. In the first Ge+2.33+ site, Ge+2.33+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Ge+2.33+ site, Ge+2.33+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the third Ge+2.33+ site, Ge+2.33+ is bonded in a 7-coordinate geometry to seven Pt2- 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: 1687074
• Report Number(s): mp-1215106
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Pt
CeGe3Pt5
crystal structure