Materials Data on Fe4Te3Se by Materials Project

doi:10.17188/1676828

Title: Materials Data on Fe4Te3Se by Materials Project

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Abstract

Fe4Te3Se crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3Se sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.59 Å. Both Fe–Se bond lengths are 2.42 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three Te2- and one Se2- atom. All Fe–Te bond lengths are 2.58 Å. The Fe–Se bond length is 2.41 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1224985

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; Fe4Te3Se; Fe-Se-Te

OSTI Identifier:: 1676828

DOI:: https://doi.org/10.17188/1676828

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                    The Materials Project. Materials Data on Fe4Te3Se by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676828.

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                    The Materials Project. Materials Data on Fe4Te3Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1676828

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                    The Materials Project. 2019.  
"Materials Data on Fe4Te3Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1676828.  https://www.osti.gov/servlets/purl/1676828. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1676828,

  title        = {Materials Data on Fe4Te3Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe4Te3Se crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3Se sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.59 Å. Both Fe–Se bond lengths are 2.42 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three Te2- and one Se2- atom. All Fe–Te bond lengths are 2.58 Å. The Fe–Se bond length is 2.41 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.},

  doi          = {10.17188/1676828},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676828

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