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Title: Materials Data on CdH4NCl3 by Materials Project

Abstract

NH4CdCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonium 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 edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.58–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-24356
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; CdH4NCl3; Cd-Cl-H-N
OSTI Identifier:
1200050
DOI:
https://doi.org/10.17188/1200050

Citation Formats

The Materials Project. Materials Data on CdH4NCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200050.
The Materials Project. Materials Data on CdH4NCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1200050
The Materials Project. 2020. "Materials Data on CdH4NCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1200050. https://www.osti.gov/servlets/purl/1200050. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1200050,
title = {Materials Data on CdH4NCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {NH4CdCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonium 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 edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.58–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1200050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}