Materials Data on CeAsS by Materials Project
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:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1277172
- Report Number(s):
- mp-5908
- Country of Publication:
- United States
- Language:
- English
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