Materials Data on Sc7CI12 by Materials Project
Sc7CI12 crystallizes in the trigonal R3 space group. The structure is one-dimensional and consists of three Sc7CI12 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent Sc+2.29+ sites. In the first Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.30 Å. There are a spread of Sc–I bond distances ranging from 2.93–2.97 Å. In the second Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.29 Å. There are a spread of Sc–I bond distances ranging from 2.88–2.98 Å. In the third Sc+2.29+ site, Sc+2.29+ is bonded in an octahedral geometry to six I1- atoms. There are three shorter (2.87 Å) and three longer (3.01 Å) Sc–I bond lengths. C4- is bonded in an octahedral geometry to six Sc+2.29+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three Sc+2.29+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three Sc+2.29+ 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:
- 1202448
- Report Number(s):
- mp-28321
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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