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Title: Materials Data on Co21(GeB3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1719574· OSTI ID:1719574

Co21(B3Ge)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.48 Å. In the second Co site, Co is bonded to three equivalent B and one Ge atom to form a mixture of distorted corner and edge-sharing CoGeB3 tetrahedra. All Co–B bond lengths are 2.07 Å. The Co–Ge bond length is 2.36 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms. Ge is bonded in a distorted tetrahedral geometry to four equivalent Co atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1719574
Report Number(s):
mp-1193515
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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