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Title: Materials Data on SbNClF3 by Materials Project

Abstract

N2(SbClF3)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight ammonia molecules and two SbClF3 sheets oriented in the (0, 0, 1) direction. In each SbClF3 sheet, Sb3+ is bonded in a 5-coordinate geometry to two equivalent Cl1- and three F1- atoms. There are one shorter (2.67 Å) and one longer (2.79 Å) Sb–Cl bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. Cl1- is bonded in a 8-coordinate geometry to two equivalent Sb3+ and six F1- atoms. There are a spread of Cl–F bond distances ranging from 2.94–3.26 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and two equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and one Cl1- atom.

Authors:
Publication Date:
Other Number(s):
mp-1209479
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SbNClF3; Cl-F-N-Sb
OSTI Identifier:
1684113
DOI:
https://doi.org/10.17188/1684113

Citation Formats

The Materials Project. Materials Data on SbNClF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684113.
The Materials Project. Materials Data on SbNClF3 by Materials Project. United States. doi:https://doi.org/10.17188/1684113
The Materials Project. 2020. "Materials Data on SbNClF3 by Materials Project". United States. doi:https://doi.org/10.17188/1684113. https://www.osti.gov/servlets/purl/1684113. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684113,
title = {Materials Data on SbNClF3 by Materials Project},
author = {The Materials Project},
abstractNote = {N2(SbClF3)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight ammonia molecules and two SbClF3 sheets oriented in the (0, 0, 1) direction. In each SbClF3 sheet, Sb3+ is bonded in a 5-coordinate geometry to two equivalent Cl1- and three F1- atoms. There are one shorter (2.67 Å) and one longer (2.79 Å) Sb–Cl bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. Cl1- is bonded in a 8-coordinate geometry to two equivalent Sb3+ and six F1- atoms. There are a spread of Cl–F bond distances ranging from 2.94–3.26 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and two equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and one Cl1- atom.},
doi = {10.17188/1684113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}