Materials Data on K3Ge4Au by Materials Project

doi:10.17188/1192338

Title: Materials Data on K3Ge4Au by Materials Project

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Abstract

K3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to two equivalent Au and four equivalent Ge atoms. Both K–Au bond lengths are 3.43 Å. There are two shorter (3.56 Å) and two longer (3.78 Å) K–Ge bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to one Au and eight Ge atoms. The K–Au bond length is 3.32 Å. There are a spread of K–Ge bond distances ranging from 3.56–3.80 Å. Au is bonded in a 8-coordinate geometry to four K and four Ge atoms. There are two shorter (2.65 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six K, one Au, and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent K, one Au, and two equivalent Ge atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-17112

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; K3Ge4Au; Au-Ge-K

OSTI Identifier:: 1192338

DOI:: https://doi.org/10.17188/1192338

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                    The Materials Project. Materials Data on K3Ge4Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192338.

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                    The Materials Project. Materials Data on K3Ge4Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1192338

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                    The Materials Project. 2020.  
"Materials Data on K3Ge4Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1192338.  https://www.osti.gov/servlets/purl/1192338. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192338,

  title        = {Materials Data on K3Ge4Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to two equivalent Au and four equivalent Ge atoms. Both K–Au bond lengths are 3.43 Å. There are two shorter (3.56 Å) and two longer (3.78 Å) K–Ge bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to one Au and eight Ge atoms. The K–Au bond length is 3.32 Å. There are a spread of K–Ge bond distances ranging from 3.56–3.80 Å. Au is bonded in a 8-coordinate geometry to four K and four Ge atoms. There are two shorter (2.65 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six K, one Au, and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent K, one Au, and two equivalent Ge atoms.},

  doi          = {10.17188/1192338},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192338

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