Materials Data on SnC2(NF)6 by Materials Project
SnC2(NF)6 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one SnC2(NF)6 sheet oriented in the (0, 0, 1) direction. Sn4+ is bonded in an octahedral geometry to six F1- atoms. All Sn–F bond lengths are 2.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) N–F bond lengths. In the second N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.50 Å. In the third N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) N–F bond lengths. In the fourth N1- site, N1- is bonded in a distorted trigonal planar geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.44 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- 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:
- 1715747
- Report Number(s):
- mp-1209071
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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