Materials Data on GeAsSe by Materials Project

doi:10.17188/1203627

Title: Materials Data on GeAsSe by Materials Project

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Abstract

GeAsSe crystallizes in the orthorhombic Pnna space group. The structure is two-dimensional and consists of two GeAsSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.51 Å. Both Ge–Se bond lengths are 2.39 Å. In the second Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.50 Å. Both Ge–Se bond lengths are 2.41 Å. As2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one As2- atom. The As–As bond length is 2.49 Å. Se2- is bonded in an L-shaped geometry to two Ge4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-29249

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; GeAsSe; As-Ge-Se

OSTI Identifier:: 1203627

DOI:: https://doi.org/10.17188/1203627

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                    The Materials Project. Materials Data on GeAsSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203627.

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                    The Materials Project. Materials Data on GeAsSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1203627

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                    The Materials Project. 2020.  
"Materials Data on GeAsSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1203627.  https://www.osti.gov/servlets/purl/1203627. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1203627,

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

  author       = {The Materials Project},

  abstractNote = {GeAsSe crystallizes in the orthorhombic Pnna space group. The structure is two-dimensional and consists of two GeAsSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.51 Å. Both Ge–Se bond lengths are 2.39 Å. In the second Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.50 Å. Both Ge–Se bond lengths are 2.41 Å. As2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one As2- atom. The As–As bond length is 2.49 Å. Se2- is bonded in an L-shaped geometry to two Ge4+ atoms.},

  doi          = {10.17188/1203627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203627

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