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Title: Materials Data on B2AsCl2 by Materials Project

Abstract

B2AsCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two B2AsCl2 clusters. there are four inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. In the second B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. There are one shorter (2.18 Å) and one longer (2.19 Å) B–As bond lengths. The B–Cl bond length is 1.75 Å. In the third B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. Both B–As bond lengths are 2.18 Å. The B–Cl bond length is 1.76 Å. In the fourth B site, B is bonded in a single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 3-coordinate geometry to three B atoms. In the second As2+ site, As2+ is bonded in a 3-coordinate geometry to threemore » B atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom.« less

Authors:
Publication Date:
Other Number(s):
mp-29028
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; B2AsCl2; As-B-Cl
OSTI Identifier:
1203073
DOI:
https://doi.org/10.17188/1203073

Citation Formats

The Materials Project. Materials Data on B2AsCl2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1203073.
The Materials Project. Materials Data on B2AsCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1203073
The Materials Project. 2017. "Materials Data on B2AsCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1203073. https://www.osti.gov/servlets/purl/1203073. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1203073,
title = {Materials Data on B2AsCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {B2AsCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two B2AsCl2 clusters. there are four inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. In the second B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. There are one shorter (2.18 Å) and one longer (2.19 Å) B–As bond lengths. The B–Cl bond length is 1.75 Å. In the third B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. Both B–As bond lengths are 2.18 Å. The B–Cl bond length is 1.76 Å. In the fourth B site, B is bonded in a single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 3-coordinate geometry to three B atoms. In the second As2+ site, As2+ is bonded in a 3-coordinate geometry to three B atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom.},
doi = {10.17188/1203073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}