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Title: Materials Data on CeAsS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277172· OSTI ID:1277172

CeAsS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. All Ce–As bond lengths are 3.12 Å. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As1- atoms. All As–As bond lengths are 2.79 Å. S2- is bonded to five equivalent Ce3+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids.

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:
1277172
Report Number(s):
mp-5908
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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