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Title: Materials Data on CdH8C2Br3N by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268378· OSTI ID:1268378

CdBr3(CH3)2NH2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four dimethylazanium 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 face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.79–2.94 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a distorted 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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1268378
Report Number(s):
mp-600182
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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