Materials Data on Gd4(CoB2)3 by Materials Project
Gd4(CoB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Gd–B bond lengths are 2.66 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Gd–B bond lengths are 2.66 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted linear geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.54 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 Gd3+, two equivalent Co2+, and three equivalent B3- atoms. There is two shorter (1.77 Å) and one longer (1.78 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:
- 1732771
- Report Number(s):
- mp-1105010
- Country of Publication:
- United States
- Language:
- English
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