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Title: Materials Data on PrVGe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315816· OSTI ID:1315816

PrVGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent VGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent VGe6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are six shorter (3.16 Å) and six longer (3.21 Å) Pr–Ge bond lengths. V is bonded to six equivalent Ge atoms to form VGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent VGe6 octahedra. All V–Ge bond lengths are 2.54 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent V, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å.

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:
1315816
Report Number(s):
mp-978084
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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