Materials Data on NdGe2Ir by Materials Project

doi:10.17188/1266587

Title: Materials Data on NdGe2Ir by Materials Project

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Abstract

NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, threemore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-542593

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; NdGe2Ir; Ge-Ir-Nd

OSTI Identifier:: 1266587

DOI:: https://doi.org/10.17188/1266587

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                    The Materials Project. Materials Data on NdGe2Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266587.

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                    The Materials Project. Materials Data on NdGe2Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1266587

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                    The Materials Project. 2020.  
"Materials Data on NdGe2Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1266587.  https://www.osti.gov/servlets/purl/1266587. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266587,

  title        = {Materials Data on NdGe2Ir by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.78 Å.},

  doi          = {10.17188/1266587},

  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/10.17188/1266587

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