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Title: Materials Data on CeHSe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199861· OSTI ID:1199861

CeHSe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce3+ is bonded in a distorted trigonal planar geometry to three equivalent H1- and six equivalent Se2- atoms. All Ce–H bond lengths are 2.31 Å. All Ce–Se bond lengths are 3.04 Å. H1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. Se2- is bonded to six equivalent Ce3+ atoms to form a mixture of face, edge, and corner-sharing SeCe6 octahedra. The corner-sharing octahedral tilt angles are 45°.

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:
1199861
Report Number(s):
mp-24011
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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