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Materials Data on SnCNCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1730858· OSTI ID:1730858
SnCl2CNCl crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two cyanogen chloride molecules and one SnCl2 sheet oriented in the (0, 1, 0) direction. In the SnCl2 sheet, Sn2+ is bonded to four Cl1- atoms to form distorted corner-sharing SnCl4 tetrahedra. There are a spread of Sn–Cl bond distances ranging from 2.59–2.98 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sn2+ 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:
1730858
Report Number(s):
mp-1103126
Country of Publication:
United States
Language:
English

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