Materials Data on Nb6Co7 by Materials Project

doi:10.17188/1278153

Title: Materials Data on Nb6Co7 by Materials Project

Dataset
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Abstract

Co7Nb6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 10-coordinate geometry to seven Nb and three equivalent Co atoms. There are a spread of Nb–Nb bond distances ranging from 2.71–2.92 Å. All Nb–Co bond lengths are 2.74 Å. In the second Nb site, Nb is bonded in a 10-coordinate geometry to seven Nb and three equivalent Co atoms. All Nb–Nb bond lengths are 2.87 Å. All Nb–Co bond lengths are 2.46 Å. In the third Nb site, Nb is bonded in a 12-coordinate geometry to seven Nb and six equivalent Co atoms. The Nb–Nb bond length is 3.36 Å. All Nb–Co bond lengths are 3.09 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to four Nb and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.27–2.64 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-622633

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; Nb6Co7; Co-Nb

OSTI Identifier:: 1278153

DOI:: https://doi.org/10.17188/1278153

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                    The Materials Project. Materials Data on Nb6Co7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278153.

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                    The Materials Project. Materials Data on Nb6Co7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278153

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                    The Materials Project. 2020.  
"Materials Data on Nb6Co7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278153.  https://www.osti.gov/servlets/purl/1278153. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1278153,

  title        = {Materials Data on Nb6Co7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co7Nb6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 10-coordinate geometry to seven Nb and three equivalent Co atoms. There are a spread of Nb–Nb bond distances ranging from 2.71–2.92 Å. All Nb–Co bond lengths are 2.74 Å. In the second Nb site, Nb is bonded in a 10-coordinate geometry to seven Nb and three equivalent Co atoms. All Nb–Nb bond lengths are 2.87 Å. All Nb–Co bond lengths are 2.46 Å. In the third Nb site, Nb is bonded in a 12-coordinate geometry to seven Nb and six equivalent Co atoms. The Nb–Nb bond length is 3.36 Å. All Nb–Co bond lengths are 3.09 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to four Nb and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.27–2.64 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six equivalent Co atoms.},

  doi          = {10.17188/1278153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278153

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