Materials Data on K2RuI5NO by Materials Project

doi:10.17188/1269965

Title: Materials Data on K2RuI5NO by Materials Project

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Abstract

K2RuNOI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of K–I bond distances ranging from 3.73–4.29 Å. Ru2+ is bonded in a distorted octahedral geometry to one N3+ and five I1- atoms. The Ru–N bond length is 1.74 Å. All Ru–I bond lengths are 2.76 Å. N3+ is bonded in a distorted linear geometry to one Ru2+ and one O2- atom. The N–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one N3+ and four I1- atoms. There are a spread of O–I bond distances ranging from 3.53–3.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru2+ atom. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the third I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+,more » and one O2- atom.« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-557702

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; K2RuI5NO; I-K-N-O-Ru

OSTI Identifier:: 1269965

DOI:: https://doi.org/10.17188/1269965

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                    The Materials Project. Materials Data on K2RuI5NO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269965.

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                    The Materials Project. Materials Data on K2RuI5NO by Materials Project.  United States.  doi:https://doi.org/10.17188/1269965

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                    The Materials Project. 2020.  
"Materials Data on K2RuI5NO by Materials Project".  United States.  doi:https://doi.org/10.17188/1269965.  https://www.osti.gov/servlets/purl/1269965. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1269965,

  title        = {Materials Data on K2RuI5NO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2RuNOI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of K–I bond distances ranging from 3.73–4.29 Å. Ru2+ is bonded in a distorted octahedral geometry to one N3+ and five I1- atoms. The Ru–N bond length is 1.74 Å. All Ru–I bond lengths are 2.76 Å. N3+ is bonded in a distorted linear geometry to one Ru2+ and one O2- atom. The N–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one N3+ and four I1- atoms. There are a spread of O–I bond distances ranging from 3.53–3.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru2+ atom. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the third I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Ru2+, and one O2- atom.},

  doi          = {10.17188/1269965},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1269965

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