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Title: Materials Data on CdH8C2NCl3 by Materials Project

Abstract

CdCl3(CH3)2NH2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four dimethylazanium molecules and two CdCl3 ribbons oriented in the (1, 0, 0) direction. In each CdCl3 ribbon, Cd2+ is bonded to six Cl1- atoms to form face-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.62–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-570587
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; CdH8C2NCl3; C-Cd-Cl-H-N
OSTI Identifier:
1268404
DOI:
10.17188/1268404

Citation Formats

The Materials Project. Materials Data on CdH8C2NCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268404.
The Materials Project. Materials Data on CdH8C2NCl3 by Materials Project. United States. doi:10.17188/1268404.
The Materials Project. 2020. "Materials Data on CdH8C2NCl3 by Materials Project". United States. doi:10.17188/1268404. https://www.osti.gov/servlets/purl/1268404. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1268404,
title = {Materials Data on CdH8C2NCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CdCl3(CH3)2NH2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four dimethylazanium molecules and two CdCl3 ribbons oriented in the (1, 0, 0) direction. In each CdCl3 ribbon, Cd2+ is bonded to six Cl1- atoms to form face-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.62–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1268404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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