Materials Data on ThN4O17 by Materials Project

doi:10.17188/1664178

Title: Materials Data on ThN4O17 by Materials Project

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Abstract

ThN4O17 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight ThN4O17 clusters. Th is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Th–O bond distances ranging from 2.38–2.64 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Th atom. In the second O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 2.08 Å. In the fifth O site, O is bonded in a single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1208255

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; ThN4O17; N-O-Th

OSTI Identifier:: 1664178

DOI:: https://doi.org/10.17188/1664178

Citation Formats


                    The Materials Project. Materials Data on ThN4O17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664178.

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                    The Materials Project. Materials Data on ThN4O17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664178

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                    The Materials Project. 2020.  
"Materials Data on ThN4O17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664178.  https://www.osti.gov/servlets/purl/1664178. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1664178,

  title        = {Materials Data on ThN4O17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThN4O17 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight ThN4O17 clusters. Th is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Th–O bond distances ranging from 2.38–2.64 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Th atom. In the second O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 2.08 Å. In the fifth O site, O is bonded in a single-bond geometry to one Th and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom.},

  doi          = {10.17188/1664178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1664178

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