Materials Data on Nd5Tl3 by Materials Project

doi:10.17188/1695912

Title: Materials Data on Nd5Tl3 by Materials Project

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Abstract

Nd5Tl3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Nd–Tl bond distances ranging from 3.28–3.66 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Nd and four equivalent Tl atoms. Both Nd–Nd bond lengths are 3.18 Å. All Nd–Tl bond lengths are 3.26 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Nd atoms. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight equivalent Nd and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.18 Å.

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1105755

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; Nd5Tl3; Nd-Tl

OSTI Identifier:: 1695912

DOI:: https://doi.org/10.17188/1695912

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                    The Materials Project. Materials Data on Nd5Tl3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1695912.

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                    The Materials Project. Materials Data on Nd5Tl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695912

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                    The Materials Project. 2018.  
"Materials Data on Nd5Tl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695912.  https://www.osti.gov/servlets/purl/1695912. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1695912,

  title        = {Materials Data on Nd5Tl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd5Tl3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Nd–Tl bond distances ranging from 3.28–3.66 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Nd and four equivalent Tl atoms. Both Nd–Nd bond lengths are 3.18 Å. All Nd–Tl bond lengths are 3.26 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Nd atoms. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight equivalent Nd and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.18 Å.},

  doi          = {10.17188/1695912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1695912

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