Materials Data on HfTeSe4 by Materials Project

doi:10.17188/1316943

Title: Materials Data on HfTeSe4 by Materials Project

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Abstract

HfTeSe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one HfTeSe4 sheet oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Se2- atoms to form HfSe6 octahedra that share edges with two equivalent HfSe6 octahedra and edges with four equivalent TeSe6 octahedra. There are two shorter (2.69 Å) and four longer (2.71 Å) Hf–Se bond lengths. Te4+ is bonded to six Se2- atoms to form TeSe6 octahedra that share edges with two equivalent TeSe6 octahedra and edges with four equivalent HfSe6 octahedra. All Te–Se bond lengths are 2.81 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Te4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-989651

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; HfTeSe4; Hf-Se-Te

OSTI Identifier:: 1316943

DOI:: https://doi.org/10.17188/1316943

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                    The Materials Project. Materials Data on HfTeSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316943.

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                    The Materials Project. Materials Data on HfTeSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316943

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                    The Materials Project. 2020.  
"Materials Data on HfTeSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316943.  https://www.osti.gov/servlets/purl/1316943. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316943,

  title        = {Materials Data on HfTeSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfTeSe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one HfTeSe4 sheet oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Se2- atoms to form HfSe6 octahedra that share edges with two equivalent HfSe6 octahedra and edges with four equivalent TeSe6 octahedra. There are two shorter (2.69 Å) and four longer (2.71 Å) Hf–Se bond lengths. Te4+ is bonded to six Se2- atoms to form TeSe6 octahedra that share edges with two equivalent TeSe6 octahedra and edges with four equivalent HfSe6 octahedra. All Te–Se bond lengths are 2.81 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Te4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Te4+ atoms.},

  doi          = {10.17188/1316943},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316943

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