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Materials Data on Ce10Te19 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1280518· OSTI ID:1280518
Ce10Te19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.20+ sites. In the first Ce+3.20+ site, Ce+3.20+ is bonded in a 9-coordinate geometry to nine Te+1.68- atoms. There are a spread of Ce–Te bond distances ranging from 3.27–3.40 Å. In the second Ce+3.20+ site, Ce+3.20+ is bonded in a 9-coordinate geometry to nine Te+1.68- atoms. There are a spread of Ce–Te bond distances ranging from 3.27–3.41 Å. In the third Ce+3.20+ site, Ce+3.20+ is bonded in a 8-coordinate geometry to eight Te+1.68- atoms. There are a spread of Ce–Te bond distances ranging from 3.25–3.31 Å. There are six inequivalent Te+1.68- sites. In the first Te+1.68- site, Te+1.68- is bonded to five Ce+3.20+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the second Te+1.68- site, Te+1.68- is bonded to five Ce+3.20+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the third Te+1.68- site, Te+1.68- is bonded to five Ce+3.20+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the fourth Te+1.68- site, Te+1.68- is bonded in a 4-coordinate geometry to four Ce+3.20+ atoms. In the fifth Te+1.68- site, Te+1.68- is bonded in a 12-coordinate geometry to four equivalent Ce+3.20+ atoms. In the sixth Te+1.68- site, Te+1.68- is bonded in a 4-coordinate geometry to four Ce+3.20+ atoms.
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:
1280518
Report Number(s):
mp-645273
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ce-Te
Ce10Te19
crystal structure