Materials Data on Pr5Co19B6 by Materials Project
Pr5Co19B6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Pr–Co bond lengths are 2.94 Å. All Pr–B bond lengths are 2.97 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to one Pr and six equivalent Co atoms. The Pr–Pr bond length is 3.34 Å. All Pr–Co bond lengths are 2.97 Å. In the third Pr site, Pr is bonded in a 12-coordinate geometry to two Pr, twelve Co, and six equivalent B atoms. The Pr–Pr bond length is 3.10 Å. There are six shorter (2.90 Å) and six longer (3.00 Å) Pr–Co bond lengths. All Pr–B bond lengths are 2.97 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Pr, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six Co atoms. All Co–Co bond lengths are 2.48 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Pr, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the fourth Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Pr and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Pr and six 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:
- 1266368
- Report Number(s):
- mp-542034
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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