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Materials Data on TbCoSi2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208520· OSTI ID:1208520
TbCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Tb–Si bond distances ranging from 3.03–3.16 Å. Co4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.32 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent Tb4+ and four equivalent Co4+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Tb4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 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:
1208520
Report Number(s):
mp-4969
Country of Publication:
United States
Language:
English

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