Materials Data on SnC2(NF)6 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1715747· OSTI ID:1715747

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: 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: 1715747
• Report Number(s): mp-1209071
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-F-N-Sn
SnC2(NF)6
crystal structure