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Title: Materials Data on Fe(RhS2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187337· OSTI ID:1187337

FeRh2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent RhS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–S bond lengths are 2.30 Å. Rh3+ is bonded to six equivalent S2- atoms to form RhS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent RhS6 octahedra. All Rh–S bond lengths are 2.39 Å. S2- is bonded to one Fe2+ and three equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing SFeRh3 trigonal pyramids.

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:
1187337
Report Number(s):
mp-10754
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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