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Title: Materials Data on CdH5Br3N2 by Materials Project

Abstract

CdBr3NH2NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; four ammonia molecules; and two CdBr3 ribbons oriented in the (1, 0, 0) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form distorted edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.73–3.23 Å. There are three 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 3-coordinate geometry to three equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-1198034
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; CdH5Br3N2; Br-Cd-H-N
OSTI Identifier:
1656172
DOI:
https://doi.org/10.17188/1656172

Citation Formats

The Materials Project. Materials Data on CdH5Br3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656172.
The Materials Project. Materials Data on CdH5Br3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1656172
The Materials Project. 2020. "Materials Data on CdH5Br3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1656172. https://www.osti.gov/servlets/purl/1656172. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1656172,
title = {Materials Data on CdH5Br3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdBr3NH2NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; four ammonia molecules; and two CdBr3 ribbons oriented in the (1, 0, 0) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form distorted edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.73–3.23 Å. There are three 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 3-coordinate geometry to three equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1656172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}