Materials Data on Tb5(Ge5Ir2)2 by Materials Project

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

DOI:https://doi.org/10.17188/1664996· OSTI ID:1664996

Tb5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Tb–Ir bond lengths are 3.22 Å. There are eight shorter (3.00 Å) and four longer (3.37 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to four equivalent Ir and eight Ge atoms to form face-sharing TbGe8Ir4 cuboctahedra. All Tb–Ir bond lengths are 3.14 Å. There are a spread of Tb–Ge bond distances ranging from 2.96–3.09 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Tb–Ir bond lengths are 3.35 Å. There are eight shorter (3.30 Å) and two longer (3.37 Å) Tb–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.91 Å.

• 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: 1664996
• Report Number(s): mp-1200835
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ir-Tb
Tb5(Ge5Ir2)2
crystal structure