Materials Data on Li2ZnGe by Materials Project

doi:10.17188/1274942

Title: Materials Data on Li2ZnGe by Materials Project

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Abstract

Li2ZnGe crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four Ge atoms. There are one shorter (2.76 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.74 Å) and three longer (2.85 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. All Li–Li bond lengths are 2.86 Å. All Li–Zn bond lengths are 2.88 Å. There are one shorter (2.78 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the third Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the fourth Li site, Li is bonded in a 11-coordinate geometry to four Li, threemore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-569115

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; Li2ZnGe; Ge-Li-Zn

OSTI Identifier:: 1274942

DOI:: https://doi.org/10.17188/1274942

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                    The Materials Project. Materials Data on Li2ZnGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274942.

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                    The Materials Project. Materials Data on Li2ZnGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1274942

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                    The Materials Project. 2020.  
"Materials Data on Li2ZnGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1274942.  https://www.osti.gov/servlets/purl/1274942. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274942,

  title        = {Materials Data on Li2ZnGe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2ZnGe crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four Ge atoms. There are one shorter (2.76 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.74 Å) and three longer (2.85 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. All Li–Li bond lengths are 2.86 Å. All Li–Zn bond lengths are 2.88 Å. There are one shorter (2.78 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the third Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the fourth Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four Ge atoms. All Li–Zn bond lengths are 2.88 Å. There are one shorter (2.76 Å) and three longer (2.84 Å) Li–Ge bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to six Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to six Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eight Li and three equivalent Zn atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eight Li and three equivalent Zn atoms.},

  doi          = {10.17188/1274942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274942

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