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Materials Data on Y4(CoB2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1693004· OSTI ID:1693004
Y4(CoB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.65 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.64 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a linear geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.48 Å. In the second Co2+ site, Co2+ is bonded in a 6-coordinate geometry to one Co2+ and six equivalent B3- atoms. All Co–B bond lengths are 2.14 Å. B3- is bonded in a 9-coordinate geometry to four Y3+, two equivalent Co2+, and three equivalent B3- atoms. There is two shorter (1.77 Å) and one longer (1.79 Å) B–B bond length.
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:
1693004
Report Number(s):
mp-1104597
Country of Publication:
United States
Language:
English

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