Materials Data on K3Hg11 by Materials Project

doi:10.17188/1187534

Title: Materials Data on K3Hg11 by Materials Project

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Abstract

K3Hg11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.67–4.01 Å. In the second K site, K is bonded to twelve Hg atoms to form distorted face-sharing KHg12 cuboctahedra. There are four shorter (3.75 Å) and eight longer (4.04 Å) K–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 7-coordinate geometry to three K and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.16 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to five K and five Hg atoms. There are one shorter (3.06 Å) and one longer (3.16 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Hg atoms. In the fourth Hg site, Hg is bonded in a 12-coordinate geometry to four equivalent K and four equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-11028

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; K3Hg11; Hg-K

OSTI Identifier:: 1187534

DOI:: https://doi.org/10.17188/1187534

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                    The Materials Project. Materials Data on K3Hg11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187534.

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                    The Materials Project. Materials Data on K3Hg11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187534

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                    The Materials Project. 2020.  
"Materials Data on K3Hg11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187534.  https://www.osti.gov/servlets/purl/1187534. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1187534,

  title        = {Materials Data on K3Hg11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Hg11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.67–4.01 Å. In the second K site, K is bonded to twelve Hg atoms to form distorted face-sharing KHg12 cuboctahedra. There are four shorter (3.75 Å) and eight longer (4.04 Å) K–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 7-coordinate geometry to three K and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.16 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to five K and five Hg atoms. There are one shorter (3.06 Å) and one longer (3.16 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Hg atoms. In the fourth Hg site, Hg is bonded in a 12-coordinate geometry to four equivalent K and four equivalent Hg atoms.},

  doi          = {10.17188/1187534},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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