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Title: Materials Data on AgSbH2C2(NF3)2 by Materials Project

Abstract

AgC2SbH2(NF3)2 crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two AgC2SbH2(NF3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to two equivalent N3- and four equivalent F1- atoms to form AgN2F4 octahedra that share corners with four equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Ag–N bond lengths are 2.09 Å. All Ag–F bond lengths are 2.82 Å. C3+ is bonded in a linear geometry to one N3- and one H1+ atom. The C–N bond length is 1.16 Å. The C–H bond length is 1.08 Å. Sb3+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with four equivalent AgN2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sb–F bond lengths are 1.93 Å. N3- is bonded in a linear geometry to one Ag1+ and one C3+ atom. H1+ is bonded in a single-bond geometry to one C3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-690698
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; AgSbH2C2(NF3)2; Ag-C-F-H-N-Sb
OSTI Identifier:
1284561
DOI:
https://doi.org/10.17188/1284561

Citation Formats

The Materials Project. Materials Data on AgSbH2C2(NF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284561.
The Materials Project. Materials Data on AgSbH2C2(NF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1284561
The Materials Project. 2020. "Materials Data on AgSbH2C2(NF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1284561. https://www.osti.gov/servlets/purl/1284561. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1284561,
title = {Materials Data on AgSbH2C2(NF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgC2SbH2(NF3)2 crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two AgC2SbH2(NF3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to two equivalent N3- and four equivalent F1- atoms to form AgN2F4 octahedra that share corners with four equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Ag–N bond lengths are 2.09 Å. All Ag–F bond lengths are 2.82 Å. C3+ is bonded in a linear geometry to one N3- and one H1+ atom. The C–N bond length is 1.16 Å. The C–H bond length is 1.08 Å. Sb3+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with four equivalent AgN2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sb–F bond lengths are 1.93 Å. N3- is bonded in a linear geometry to one Ag1+ and one C3+ atom. H1+ is bonded in a single-bond geometry to one C3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom.},
doi = {10.17188/1284561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}