Materials Data on Er2Ge5 by Materials Project

doi:10.17188/1204238

Title: Materials Data on Er2Ge5 by Materials Project

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Abstract

Er2Ge5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.92–3.19 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.26 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.82 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the fifth Ge site, Ge is bonded inmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-29777

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; Er2Ge5; Er-Ge

OSTI Identifier:: 1204238

DOI:: https://doi.org/10.17188/1204238

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                    The Materials Project. Materials Data on Er2Ge5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204238.

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                    The Materials Project. Materials Data on Er2Ge5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204238

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                    The Materials Project. 2020.  
"Materials Data on Er2Ge5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204238.  https://www.osti.gov/servlets/purl/1204238. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204238,

  title        = {Materials Data on Er2Ge5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Ge5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.92–3.19 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.26 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.82 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms.},

  doi          = {10.17188/1204238},

  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/10.17188/1204238

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