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Title: Materials Data on PrBPt2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1718374· OSTI ID:1718374

PrPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of face, edge, and corner-sharing PrB4Pt8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.14 Å) Pr–Pt bond lengths. All Pr–B bond lengths are 3.07 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Pr3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.13 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Pt 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:
1718374
Report Number(s):
mp-1209526
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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