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Title: Materials Data on ScBr2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1309471· OSTI ID:1309471

ScBr2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing ScBr6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.74 Å) and two longer (2.78 Å) Sc–Br bond lengths. Br1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ 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:
1309471
Report Number(s):
mp-862565
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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