Materials Data on K3VC5N5O by Materials Project

doi:10.17188/1285808

Title: Materials Data on K3VC5N5O by Materials Project

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Abstract

K3VC5N5O crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.88–2.98 Å. The K–O bond length is 2.97 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.85–3.02 Å. The K–O bond length is 2.82 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.90–3.29 Å. The K–O bond length is 3.20 Å. V2+ is bonded in a single-bond geometry to one O2- atom. The V–O bond length is 1.68 Å. There are five inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length ismore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1285808

Report Number(s):: mp-705009

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; K3VC5N5O; C-K-N-O-V

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                    The Materials Project. Materials Data on K3VC5N5O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285808.

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                    The Materials Project. Materials Data on K3VC5N5O by Materials Project.  United States.  https://doi.org/10.17188/1285808

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                    The Materials Project. 2020.  
        "Materials Data on K3VC5N5O by Materials Project".  United States.  https://doi.org/10.17188/1285808.  https://www.osti.gov/servlets/purl/1285808.

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@article{osti_1285808,

  title        = {Materials Data on K3VC5N5O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3VC5N5O crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.88–2.98 Å. The K–O bond length is 2.97 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.85–3.02 Å. The K–O bond length is 2.82 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.90–3.29 Å. The K–O bond length is 3.20 Å. V2+ is bonded in a single-bond geometry to one O2- atom. The V–O bond length is 1.68 Å. There are five inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and one C+2.40+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C+2.40+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+2.40+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+2.40+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+2.40+ atom. O2- is bonded in a distorted single-bond geometry to three K1+ and one V2+ atom.},

  doi          = {10.17188/1285808},

  url          = {https://www.osti.gov/biblio/1285808},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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