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Title: Materials Data on CdH24C4(BrN2)6 by Materials Project

Abstract

CdBr6(CN3H6)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen guanidinium molecules and four CdBr6 clusters. In each CdBr6 cluster, Cd2+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Cd–Br bond distances ranging from 2.74–2.92 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-707501
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; CdH24C4(BrN2)6; Br-C-Cd-H-N
OSTI Identifier:
1286432
DOI:
10.17188/1286432

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CdH24C4(BrN2)6 by Materials Project. United States: N. p., 2015. Web. doi:10.17188/1286432.
Persson, Kristin, & Project, Materials. Materials Data on CdH24C4(BrN2)6 by Materials Project. United States. doi:10.17188/1286432.
Persson, Kristin, and Project, Materials. 2015. "Materials Data on CdH24C4(BrN2)6 by Materials Project". United States. doi:10.17188/1286432. https://www.osti.gov/servlets/purl/1286432. Pub date:Tue Jan 06 00:00:00 EST 2015
@article{osti_1286432,
title = {Materials Data on CdH24C4(BrN2)6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CdBr6(CN3H6)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen guanidinium molecules and four CdBr6 clusters. In each CdBr6 cluster, Cd2+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Cd–Br bond distances ranging from 2.74–2.92 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom.},
doi = {10.17188/1286432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {1}
}

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