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Title: Materials Data on AsH10C3I by Materials Project

Abstract

C3AsH10I crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hydriodic acid molecules and four C3AsH10 clusters. In each C3AsH10 cluster, there are two inequivalent C2- sites. In the first C2- site, C2- is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.92 Å. All C–H bond lengths are 1.10 Å. In the second C2- site, C2- is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.93 Å. All C–H bond lengths are 1.10 Å. As3- is bonded in a tetrahedral geometry to three C2- and one H1+ atom. The As–H bond length is 1.51 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one As3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+more » is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1197381
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; AsH10C3I; As-C-H-I
OSTI Identifier:
1663612
DOI:
https://doi.org/10.17188/1663612

Citation Formats

The Materials Project. Materials Data on AsH10C3I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663612.
The Materials Project. Materials Data on AsH10C3I by Materials Project. United States. doi:https://doi.org/10.17188/1663612
The Materials Project. 2020. "Materials Data on AsH10C3I by Materials Project". United States. doi:https://doi.org/10.17188/1663612. https://www.osti.gov/servlets/purl/1663612. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1663612,
title = {Materials Data on AsH10C3I by Materials Project},
author = {The Materials Project},
abstractNote = {C3AsH10I crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hydriodic acid molecules and four C3AsH10 clusters. In each C3AsH10 cluster, there are two inequivalent C2- sites. In the first C2- site, C2- is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.92 Å. All C–H bond lengths are 1.10 Å. In the second C2- site, C2- is bonded to one As3- and three H1+ atoms to form distorted corner-sharing CAsH3 tetrahedra. The C–As bond length is 1.93 Å. All C–H bond lengths are 1.10 Å. As3- is bonded in a tetrahedral geometry to three C2- and one H1+ atom. The As–H bond length is 1.51 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one As3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom.},
doi = {10.17188/1663612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}