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Materials Data on Tb4CuPt3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1754831· OSTI ID:1754831
Tb4Pt3Cu crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to five Pt and two equivalent Cu atoms. There are a spread of Tb–Pt bond distances ranging from 2.97–3.05 Å. There are one shorter (2.96 Å) and one longer (2.99 Å) Tb–Cu bond lengths. In the second Tb site, Tb is bonded in a 7-coordinate geometry to six Pt and one Cu atom. There are a spread of Tb–Pt bond distances ranging from 2.87–3.03 Å. The Tb–Cu bond length is 2.93 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to five Pt and two equivalent Cu atoms. There are a spread of Tb–Pt bond distances ranging from 2.96–3.00 Å. Both Tb–Cu bond lengths are 3.06 Å. In the fourth Tb site, Tb is bonded in a 7-coordinate geometry to five Pt and two equivalent Cu atoms. There are a spread of Tb–Pt bond distances ranging from 2.86–3.02 Å. Both Tb–Cu bond lengths are 3.04 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven Tb atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to seven Tb and two equivalent Cu atoms. Both Pt–Cu bond lengths are 2.77 Å. In the third Pt site, Pt is bonded in a 7-coordinate geometry to seven Tb atoms. Cu is bonded in a 9-coordinate geometry to seven Tb and two equivalent Pt 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:
1754831
Report Number(s):
mp-1217627
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Cu-Pt-Tb
Tb4CuPt3
crystal structure