Materials Data on Ce11(Ni2Ge3)2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1740797· OSTI ID:1740797

Ce11(Ni2Ge3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ce–Ni bond length is 2.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.05–3.21 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Ni and four Ge atoms. There are two shorter (2.94 Å) and two longer (3.02 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.05–3.30 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ce–Ni bond length is 2.80 Å. There are a spread of Ce–Ge bond distances ranging from 3.02–3.04 Å. In the fourth Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Ni and four Ge atoms. There are one shorter (2.83 Å) and two longer (2.94 Å) Ce–Ni bond lengths. There are two shorter (3.11 Å) and two longer (3.14 Å) Ce–Ge bond lengths. In the fifth Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Ni and four Ge atoms. There are two shorter (2.82 Å) and one longer (2.92 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.10–3.56 Å. In the sixth Ce site, Ce is bonded in a square co-planar geometry to four equivalent Ge atoms. All Ce–Ge bond lengths are 3.02 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Ce, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.43 Å. Both Ni–Ge bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Ce, two equivalent Ni, and one Ge atom. Both Ni–Ni bond lengths are 2.52 Å. The Ni–Ge bond length is 2.49 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ni 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: 1740797
• Report Number(s): mp-1213990
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Ni
Ce11(Ni2Ge3)2
crystal structure