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Title: Materials Data on Sb3NF10 by Materials Project

Abstract

Sb3NF10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb3NF10 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Sb+4.33+ sites. In the first Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.48 Å. In the second Sb+4.33+ site, Sb+4.33+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.26 Å. In the third Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.29 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of N–F bond distances ranging from 2.74–2.92 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometrymore » to one Sb+4.33+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Sb+4.33+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.33+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+4.33+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and two equivalent N3- atoms.« less

Publication Date:
Other Number(s):
mp-1202907
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb3NF10; F-N-Sb
OSTI Identifier:
1744760
DOI:
https://doi.org/10.17188/1744760

Citation Formats

The Materials Project. Materials Data on Sb3NF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744760.
The Materials Project. Materials Data on Sb3NF10 by Materials Project. United States. doi:https://doi.org/10.17188/1744760
The Materials Project. 2020. "Materials Data on Sb3NF10 by Materials Project". United States. doi:https://doi.org/10.17188/1744760. https://www.osti.gov/servlets/purl/1744760. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744760,
title = {Materials Data on Sb3NF10 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3NF10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb3NF10 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Sb+4.33+ sites. In the first Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.48 Å. In the second Sb+4.33+ site, Sb+4.33+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.26 Å. In the third Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.29 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of N–F bond distances ranging from 2.74–2.92 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Sb+4.33+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.33+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+4.33+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and two equivalent N3- atoms.},
doi = {10.17188/1744760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}