Materials Data on CrN3O8 by Materials Project

doi:10.17188/1663126

Title: Materials Data on CrN3O8 by Materials Project

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Abstract

(CrO8)2(N2)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four CrO8 clusters. In each CrO8 cluster, Cr3+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of Cr–O bond distances ranging from 1.97–1.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1194673

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; CrN3O8; Cr-N-O

OSTI Identifier:: 1663126

DOI:: https://doi.org/10.17188/1663126

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                    The Materials Project. Materials Data on CrN3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663126.

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                    The Materials Project. Materials Data on CrN3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663126

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                    The Materials Project. 2020.  
"Materials Data on CrN3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663126.  https://www.osti.gov/servlets/purl/1663126. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1663126,

  title        = {Materials Data on CrN3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(CrO8)2(N2)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four CrO8 clusters. In each CrO8 cluster, Cr3+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of Cr–O bond distances ranging from 1.97–1.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. The O–O bond length is 1.33 Å. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Cr3+ and one O2- atom.},

  doi          = {10.17188/1663126},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1663126

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