Materials Data on Nd2Ge6Au by Materials Project

doi:10.17188/1674693

Title: Materials Data on Nd2Ge6Au by Materials Project

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Abstract

Nd2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.10–3.21 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Nd–Au bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.21–3.53 Å. Au is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.51–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Au, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.98 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. All Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207252

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; Nd2Ge6Au; Au-Ge-Nd

OSTI Identifier:: 1674693

DOI:: https://doi.org/10.17188/1674693

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                    The Materials Project. Materials Data on Nd2Ge6Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674693.

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                    The Materials Project. Materials Data on Nd2Ge6Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1674693

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                    The Materials Project. 2019.  
"Materials Data on Nd2Ge6Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1674693.  https://www.osti.gov/servlets/purl/1674693. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1674693,

  title        = {Materials Data on Nd2Ge6Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.10–3.21 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Nd–Au bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.21–3.53 Å. Au is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.51–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Au, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.98 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. All Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Au, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Au, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms.},

  doi          = {10.17188/1674693},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1674693

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