Materials Data on Nb5P3 by Materials Project

doi:10.17188/1280846

Title: Materials Data on Nb5P3 by Materials Project

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Abstract

Nb5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are ten inequivalent Nb sites. In the first Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.48–2.65 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.55–2.76 Å. In the third Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.99 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.57–2.86 Å. In the fifth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.45–2.62 Å. In the sixth Nb site, Nb is bonded to five P atoms to form distorted edge-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.48–2.58 Å. In the seventh Nb site, Nb is bonded in a distortedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-648999

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; Nb5P3; Nb-P

OSTI Identifier:: 1280846

DOI:: https://doi.org/10.17188/1280846

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                    The Materials Project. Materials Data on Nb5P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280846.

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                    The Materials Project. Materials Data on Nb5P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280846

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                    The Materials Project. 2020.  
"Materials Data on Nb5P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280846.  https://www.osti.gov/servlets/purl/1280846. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1280846,

  title        = {Materials Data on Nb5P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are ten inequivalent Nb sites. In the first Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.48–2.65 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.55–2.76 Å. In the third Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.99 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.57–2.86 Å. In the fifth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.45–2.62 Å. In the sixth Nb site, Nb is bonded to five P atoms to form distorted edge-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.48–2.58 Å. In the seventh Nb site, Nb is bonded in a distorted rectangular see-saw-like geometry to four P atoms. There are a spread of Nb–P bond distances ranging from 2.51–2.71 Å. In the eighth Nb site, Nb is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.69 Å. In the ninth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.57–2.91 Å. In the tenth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.51–2.87 Å. There are six inequivalent P sites. In the first P site, P is bonded to seven Nb atoms to form distorted edge-sharing PNb7 pentagonal bipyramids. In the second P site, P is bonded in a 8-coordinate geometry to eight Nb atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the fourth P site, P is bonded to seven Nb atoms to form distorted edge-sharing PNb7 pentagonal bipyramids. In the fifth P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the sixth P site, P is bonded in a 8-coordinate geometry to eight Nb atoms.},

  doi          = {10.17188/1280846},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1280846

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