Materials Data on B2AsCl2 by Materials Project

doi:10.17188/1203073

Title: Materials Data on B2AsCl2 by Materials Project

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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 »« less

Publication Date:: 2017-05-10

Other Number(s):: mp-29028

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-B-Cl; B2AsCl2; crystal structure

OSTI Identifier:: 1203073

DOI:: https://doi.org/10.17188/1203073

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                    Materials Data on B2AsCl2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1203073.

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                    Materials Data on B2AsCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203073

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                    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 04:00:00 UTC 2017

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@article{osti_1203073,

  title        = {Materials Data on B2AsCl2 by 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}

}

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DOI: https://doi.org/10.17188/1203073

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