DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MgInBr3 by Materials Project

Abstract

MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.

Publication Date:
Other Number(s):
mp-29483
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; MgInBr3; Br-In-Mg
OSTI Identifier:
1203961
DOI:
https://doi.org/10.17188/1203961

Citation Formats

The Materials Project. Materials Data on MgInBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203961.
The Materials Project. Materials Data on MgInBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1203961
The Materials Project. 2020. "Materials Data on MgInBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1203961. https://www.osti.gov/servlets/purl/1203961. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203961,
title = {Materials Data on MgInBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.},
doi = {10.17188/1203961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}