Materials Data on LaVN3 by Materials Project

doi:10.17188/1316795

Title: Materials Data on LaVN3 by Materials Project

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Abstract

LaVN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.52–2.81 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.50–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of V–N bond distances ranging from 1.74–2.00 Å. In the second V5+ site, V5+ is bonded to five N+2.67- atoms to form distorted corner-sharing VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 1.74–2.08 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent La3+, two V5+, and one N+2.67- atom. The N–N bond length is 1.41 Å. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two La3+, two equivalent V5+, and one N+2.67- atom. In the third N+2.67-more »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-989403

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; LaVN3; La-N-V

OSTI Identifier:: 1316795

DOI:: https://doi.org/10.17188/1316795

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                    The Materials Project. Materials Data on LaVN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316795.

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                    The Materials Project. Materials Data on LaVN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316795

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                    The Materials Project. 2020.  
"Materials Data on LaVN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316795.  https://www.osti.gov/servlets/purl/1316795. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316795,

  title        = {Materials Data on LaVN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaVN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.52–2.81 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.50–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of V–N bond distances ranging from 1.74–2.00 Å. In the second V5+ site, V5+ is bonded to five N+2.67- atoms to form distorted corner-sharing VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 1.74–2.08 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent La3+, two V5+, and one N+2.67- atom. The N–N bond length is 1.41 Å. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two La3+, two equivalent V5+, and one N+2.67- atom. In the third N+2.67- site, N+2.67- is bonded in a 1-coordinate geometry to four La3+ and one V5+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two La3+ and two equivalent V5+ atoms. In the fifth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two V5+ atoms. In the sixth N+2.67- site, N+2.67- is bonded in a distorted single-bond geometry to four La3+ and one V5+ atom.},

  doi          = {10.17188/1316795},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316795

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