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Title: Materials Data on CdH12C4Br3N by Materials Project

Abstract

CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-567467
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; CdH12C4Br3N; Br-C-Cd-H-N
OSTI Identifier:
1184653
DOI:
https://doi.org/10.17188/1184653

Citation Formats

The Materials Project. Materials Data on CdH12C4Br3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1184653.
The Materials Project. Materials Data on CdH12C4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1184653
The Materials Project. 2020. "Materials Data on CdH12C4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1184653. https://www.osti.gov/servlets/purl/1184653. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1184653,
title = {Materials Data on CdH12C4Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1184653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}