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Title: Materials Data on KTbRuC6(N3O2)2 by Materials Project

Abstract

KTb(CN)6Ru(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules; four ruthenium molecules; and two KTb(CN)6 sheets oriented in the (0, 0, 1) direction. In each KTb(CN)6 sheet, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are two shorter (2.88 Å) and four longer (2.97 Å) K–N bond lengths. Tb3+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.37 Å) and two longer (2.46 Å) Tb–N bond lengths. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to one K1+, one Tb3+, and one C+2.67+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one K1+, one Tb3+, and one C+2.67+ atom.

Publication Date:
Other Number(s):
mp-1180947
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; KTbRuC6(N3O2)2; C-K-N-O-Ru-Tb
OSTI Identifier:
1752748
DOI:
https://doi.org/10.17188/1752748

Citation Formats

The Materials Project. Materials Data on KTbRuC6(N3O2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752748.
The Materials Project. Materials Data on KTbRuC6(N3O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752748
The Materials Project. 2020. "Materials Data on KTbRuC6(N3O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752748. https://www.osti.gov/servlets/purl/1752748. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1752748,
title = {Materials Data on KTbRuC6(N3O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KTb(CN)6Ru(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules; four ruthenium molecules; and two KTb(CN)6 sheets oriented in the (0, 0, 1) direction. In each KTb(CN)6 sheet, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are two shorter (2.88 Å) and four longer (2.97 Å) K–N bond lengths. Tb3+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.37 Å) and two longer (2.46 Å) Tb–N bond lengths. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to one K1+, one Tb3+, and one C+2.67+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one K1+, one Tb3+, and one C+2.67+ atom.},
doi = {10.17188/1752748},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}