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Title: Materials Data on YbFeC6(N3O2)2 by Materials Project

Abstract

YbFe(CN)6(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules and one YbFe(CN)6 framework. In the YbFe(CN)6 framework, Yb2+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.41 Å) and two longer (2.49 Å) Yb–N bond lengths. Fe2+ is bonded in an octahedral geometry to six C+3.67+ atoms. There is four shorter (1.95 Å) and two longer (1.96 Å) Fe–C bond length. There are two inequivalent C+3.67+ sites. In the first C+3.67+ site, C+3.67+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.67+ site, C+3.67+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Yb2+ and one C+3.67+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Yb2+ and one C+3.67+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1207926
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; YbFeC6(N3O2)2; C-Fe-N-O-Yb
OSTI Identifier:
1744604
DOI:
https://doi.org/10.17188/1744604

Citation Formats

The Materials Project. Materials Data on YbFeC6(N3O2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744604.
The Materials Project. Materials Data on YbFeC6(N3O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744604
The Materials Project. 2020. "Materials Data on YbFeC6(N3O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744604. https://www.osti.gov/servlets/purl/1744604. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744604,
title = {Materials Data on YbFeC6(N3O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbFe(CN)6(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules and one YbFe(CN)6 framework. In the YbFe(CN)6 framework, Yb2+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.41 Å) and two longer (2.49 Å) Yb–N bond lengths. Fe2+ is bonded in an octahedral geometry to six C+3.67+ atoms. There is four shorter (1.95 Å) and two longer (1.96 Å) Fe–C bond length. There are two inequivalent C+3.67+ sites. In the first C+3.67+ site, C+3.67+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.67+ site, C+3.67+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Yb2+ and one C+3.67+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Yb2+ and one C+3.67+ atom.},
doi = {10.17188/1744604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}