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Title: Materials Data on CdNF3 by Materials Project

Abstract

CdNF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedra tilt angles range from 24–42°. There are two shorter (2.16 Å) and four longer (2.37 Å) Cd–F bond lengths. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.76 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one N1+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-1105795
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; CdNF3; Cd-F-N
OSTI Identifier:
1748728
DOI:
https://doi.org/10.17188/1748728

Citation Formats

The Materials Project. Materials Data on CdNF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748728.
The Materials Project. Materials Data on CdNF3 by Materials Project. United States. doi:https://doi.org/10.17188/1748728
The Materials Project. 2020. "Materials Data on CdNF3 by Materials Project". United States. doi:https://doi.org/10.17188/1748728. https://www.osti.gov/servlets/purl/1748728. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748728,
title = {Materials Data on CdNF3 by Materials Project},
author = {The Materials Project},
abstractNote = {CdNF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedra tilt angles range from 24–42°. There are two shorter (2.16 Å) and four longer (2.37 Å) Cd–F bond lengths. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.76 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one N1+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1748728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}