Materials Data on Lu4CuGe8 by Materials Project

doi:10.17188/1651473

Title: Materials Data on Lu4CuGe8 by Materials Project

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Abstract

Lu4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.19 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.90–3.09 Å. In the third Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Lu–Cu bond lengths are 3.07 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.37 Å. In the fourth Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.22 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bondmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1222658

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; Lu4CuGe8; Cu-Ge-Lu

OSTI Identifier:: 1651473

DOI:: https://doi.org/10.17188/1651473

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                    The Materials Project. Materials Data on Lu4CuGe8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1651473.

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                    The Materials Project. Materials Data on Lu4CuGe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651473

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                    The Materials Project. 2019.  
"Materials Data on Lu4CuGe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651473.  https://www.osti.gov/servlets/purl/1651473. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1651473,

  title        = {Materials Data on Lu4CuGe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.19 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.90–3.09 Å. In the third Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Lu–Cu bond lengths are 3.07 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.37 Å. In the fourth Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.22 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.82 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to six Lu and two equivalent Ge atoms.},

  doi          = {10.17188/1651473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1651473

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