Materials Data on Ce5C2Cl9 by Materials Project
Ce5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The Ce–C bond length is 2.34 Å. There are a spread of Ce–Cl bond distances ranging from 2.83–3.01 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.40 Å) and one longer (2.46 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.93–3.38 Å. In the third Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to two C3- and five Cl1- atoms. There are one shorter (2.43 Å) and one longer (2.47 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.84–3.13 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.41 Å) and one longer (2.47 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.85–3.26 Å. In the fifth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to one C3- and seven Cl1- atoms. The Ce–C bond length is 2.38 Å. There are a spread of Ce–Cl bond distances ranging from 2.83–3.28 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. The C–C bond length is 1.49 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Ce3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Ce3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a trigonal planar geometry to three Ce3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ce3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Ce3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to four Ce3+ atoms.
- 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:
- 1278881
- Report Number(s):
- mp-627409
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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