Materials Data on Ce2(SeO3)3 by Materials Project

doi:10.17188/1279798

Title: Materials Data on Ce2(SeO3)3 by Materials Project

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Abstract

Ce2(SeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.46–2.82 Å. There are two inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ce4+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 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:: 1279798

Report Number(s):: mp-638687

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; Ce2(SeO3)3; Ce-O-Se

Citation Formats


                    The Materials Project. Materials Data on Ce2(SeO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279798.

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                    The Materials Project. Materials Data on Ce2(SeO3)3 by Materials Project.  United States.  https://doi.org/10.17188/1279798

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                    The Materials Project. 2020.  
        "Materials Data on Ce2(SeO3)3 by Materials Project".  United States.  https://doi.org/10.17188/1279798.  https://www.osti.gov/servlets/purl/1279798.

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@article{osti_1279798,

  title        = {Materials Data on Ce2(SeO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2(SeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.46–2.82 Å. There are two inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ce4+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Se+3.33+ atom.},

  doi          = {10.17188/1279798},

  url          = {https://www.osti.gov/biblio/1279798},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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