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Title: Materials Data on In4As3P by Materials Project

Abstract

In4As3P crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one phosphine molecule and one In4As3 framework. In the In4As3 framework, there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) In–As bond lengths. In the second In1+ site, In1+ is bonded to four As3- atoms to form corner-sharing InAs4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–As bond lengths. In the third In1+ site, In1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both In–As bond lengths are 2.68 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1223887
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; In4As3P; As-In-P
OSTI Identifier:
1674935
DOI:
https://doi.org/10.17188/1674935

Citation Formats

The Materials Project. Materials Data on In4As3P by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1674935.
The Materials Project. Materials Data on In4As3P by Materials Project. United States. doi:https://doi.org/10.17188/1674935
The Materials Project. 2019. "Materials Data on In4As3P by Materials Project". United States. doi:https://doi.org/10.17188/1674935. https://www.osti.gov/servlets/purl/1674935. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1674935,
title = {Materials Data on In4As3P by Materials Project},
author = {The Materials Project},
abstractNote = {In4As3P crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one phosphine molecule and one In4As3 framework. In the In4As3 framework, there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) In–As bond lengths. In the second In1+ site, In1+ is bonded to four As3- atoms to form corner-sharing InAs4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–As bond lengths. In the third In1+ site, In1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both In–As bond lengths are 2.68 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra.},
doi = {10.17188/1674935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}