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Title: Materials Data on CsCeS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1285581· OSTI ID:1285581

CsCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.54 Å. Ce3+ is bonded to six equivalent S2- atoms to form edge-sharing CeS6 octahedra. All Ce–S bond lengths are 2.89 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Ce3+ atoms to form a mixture of distorted edge and corner-sharing SCs3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1285581
Report Number(s):
mp-7015
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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