Materials Data on Li3Ce5Ge4 by Materials Project

doi:10.17188/1195222

Title: Materials Data on Li3Ce5Ge4 by Materials Project

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Abstract

Li3Ce5Ge4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a distorted L-shaped geometry to two equivalent Ce and two equivalent Ge atoms. Both Li–Ce bond lengths are 3.22 Å. Both Li–Ge bond lengths are 2.60 Å. In the second Li site, Li is bonded in a distorted L-shaped geometry to two equivalent Li, two equivalent Ce, and two equivalent Ge atoms. Both Li–Li bond lengths are 2.71 Å. Both Li–Ce bond lengths are 3.45 Å. Both Li–Ge bond lengths are 2.59 Å. In the third Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li and four Ce atoms. There are two shorter (3.35 Å) and two longer (3.58 Å) Li–Ce bond lengths. There are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to two equivalent Li, two equivalent Ce, and four equivalent Ge atoms. Both Ce–Ce bond lengths are 2.81 Å. All Ce–Ge bond lengths are 3.06 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to eight Ge atoms. There are four shorter (3.05 Å)more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-20063

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; Li3Ce5Ge4; Ce-Ge-Li

OSTI Identifier:: 1195222

DOI:: https://doi.org/10.17188/1195222

Citation Formats


                    The Materials Project. Materials Data on Li3Ce5Ge4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195222.

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                    The Materials Project. Materials Data on Li3Ce5Ge4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195222

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                    The Materials Project. 2020.  
"Materials Data on Li3Ce5Ge4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195222.  https://www.osti.gov/servlets/purl/1195222. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1195222,

  title        = {Materials Data on Li3Ce5Ge4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3Ce5Ge4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a distorted L-shaped geometry to two equivalent Ce and two equivalent Ge atoms. Both Li–Ce bond lengths are 3.22 Å. Both Li–Ge bond lengths are 2.60 Å. In the second Li site, Li is bonded in a distorted L-shaped geometry to two equivalent Li, two equivalent Ce, and two equivalent Ge atoms. Both Li–Li bond lengths are 2.71 Å. Both Li–Ce bond lengths are 3.45 Å. Both Li–Ge bond lengths are 2.59 Å. In the third Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li and four Ce atoms. There are two shorter (3.35 Å) and two longer (3.58 Å) Li–Ce bond lengths. There are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to two equivalent Li, two equivalent Ce, and four equivalent Ge atoms. Both Ce–Ce bond lengths are 2.81 Å. All Ce–Ge bond lengths are 3.06 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to eight Ge atoms. There are four shorter (3.05 Å) and four longer (3.29 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 4-coordinate geometry to four Li, two equivalent Ce, and two equivalent Ge atoms. Both Ce–Ge bond lengths are 3.46 Å. In the fourth Ce site, Ce is bonded in a 4-coordinate geometry to eight Ge atoms. There are four shorter (3.04 Å) and four longer (3.28 Å) Ce–Ge bond lengths. In the fifth Ce site, Ce is bonded in a 6-coordinate geometry to two equivalent Li and four equivalent Ge atoms. All Ce–Ge bond lengths are 3.04 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, seven Ce, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ce, and two Ge atoms. The Ge–Ge bond length is 2.55 Å.},

  doi          = {10.17188/1195222},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195222

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