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Title: Materials Data on ScS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1309434· OSTI ID:1309434

ScS2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S+1.50- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.54 Å) and four longer (2.57 Å) Sc–S bond lengths. S+1.50- is bonded in a distorted trigonal planar geometry to three equivalent Sc3+ 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:
1309434
Report Number(s):
mp-862373
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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