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Title: Materials Data on Ce17O32 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282361· OSTI ID:1282361

Ce17O32 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ce+3.76+ sites. In the first Ce+3.76+ site, Ce+3.76+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.59 Å. In the second Ce+3.76+ site, Ce+3.76+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.45 Å. In the third Ce+3.76+ site, Ce+3.76+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.52 Å. In the fourth Ce+3.76+ site, Ce+3.76+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.49 Å. In the fifth Ce+3.76+ site, Ce+3.76+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.38 Å. In the sixth Ce+3.76+ site, Ce+3.76+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.42 Å. In the seventh Ce+3.76+ site, Ce+3.76+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.59 Å. In the eighth Ce+3.76+ site, Ce+3.76+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.58 Å. In the ninth Ce+3.76+ site, Ce+3.76+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.49 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four Ce+3.76+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

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:
1282361
Report Number(s):
mp-673643
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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