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Title: Materials Data on Ge12As11I4 by Materials Project

Abstract

Ge12As11(I)4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge12As11 framework. In the Ge12As11 framework, Ge+3.08+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.57 Å) and two longer (2.61 Å) Ge–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Ge+3.08+ and one As3- atom to form corner-sharing AsGe3As tetrahedra. The As–As bond length is 2.49 Å. In the second As3- site, As3- is bonded to four equivalent Ge+3.08+ atoms to form corner-sharing AsGe4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1212552
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; Ge12As11I4; As-Ge-I
OSTI Identifier:
1696055
DOI:
https://doi.org/10.17188/1696055

Citation Formats

The Materials Project. Materials Data on Ge12As11I4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696055.
The Materials Project. Materials Data on Ge12As11I4 by Materials Project. United States. doi:https://doi.org/10.17188/1696055
The Materials Project. 2020. "Materials Data on Ge12As11I4 by Materials Project". United States. doi:https://doi.org/10.17188/1696055. https://www.osti.gov/servlets/purl/1696055. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1696055,
title = {Materials Data on Ge12As11I4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge12As11(I)4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge12As11 framework. In the Ge12As11 framework, Ge+3.08+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.57 Å) and two longer (2.61 Å) Ge–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Ge+3.08+ and one As3- atom to form corner-sharing AsGe3As tetrahedra. The As–As bond length is 2.49 Å. In the second As3- site, As3- is bonded to four equivalent Ge+3.08+ atoms to form corner-sharing AsGe4 tetrahedra.},
doi = {10.17188/1696055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}