Materials Data on Zn3As2 by Materials Project

doi:10.17188/1283682

Title: Materials Data on Zn3As2 by Materials Project

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Abstract

Zn3As2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.90 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.48–2.84 Å. In the third Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.44–2.72 Å. In the fourth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.87 Å. In the fifth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.81 Å. In the sixth Zn2+ site, Zn2+more »« less

Authors:: The Materials Project

Publication Date:: 2015-03-09

Other Number(s):: mp-680580

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; Zn3As2; As-Zn

OSTI Identifier:: 1283682

DOI:: https://doi.org/10.17188/1283682

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                    The Materials Project. Materials Data on Zn3As2 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1283682.

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                    The Materials Project. Materials Data on Zn3As2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283682

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                    The Materials Project. 2015.  
"Materials Data on Zn3As2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283682.  https://www.osti.gov/servlets/purl/1283682. Pub date:Mon Mar 09 00:00:00 EDT 2015

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@article{osti_1283682,

  title        = {Materials Data on Zn3As2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn3As2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.90 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.48–2.84 Å. In the third Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.44–2.72 Å. In the fourth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.87 Å. In the fifth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.81 Å. In the sixth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.44–2.76 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the fifth As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the sixth As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms.},

  doi          = {10.17188/1283682},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2015},

  month        = {3}

}

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DOI: https://doi.org/10.17188/1283682

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