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Materials Data on Pr3Ti by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1723923· OSTI ID:1723923
Pr3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Ti atoms to form distorted PrPr8Ti4 cuboctahedra that share corners with twelve equivalent PrPr8Ti4 cuboctahedra, edges with eight equivalent TiPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ti4 cuboctahedra, faces with four equivalent TiPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Ti4 cuboctahedra. All Pr–Pr bond lengths are 3.51 Å. All Pr–Ti bond lengths are 3.51 Å. Ti is bonded to twelve equivalent Pr atoms to form TiPr12 cuboctahedra that share corners with twelve equivalent TiPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Ti4 cuboctahedra, faces with six equivalent TiPr12 cuboctahedra, and faces with twelve equivalent PrPr8Ti4 cuboctahedra.
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:
1723923
Report Number(s):
mp-1186733
Country of Publication:
United States
Language:
English

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