Materials Data on KUVIO10 by Materials Project

doi:10.17188/1694960

Title: Materials Data on KUVIO10 by Materials Project

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Abstract

KUVO10I crystallizes in the orthorhombic Pba2 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.79–3.29 Å. U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of U–O bond distances ranging from 1.81–2.39 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.47 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one U, one V, and one I atom. The O–I bond length is 1.89 Å. In the second O site, O is bonded in a water-like geometry to one V and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one U atom.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1204908

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; KUVIO10; I-K-O-U-V

OSTI Identifier:: 1694960

DOI:: https://doi.org/10.17188/1694960

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                    The Materials Project. Materials Data on KUVIO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694960.

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                    The Materials Project. Materials Data on KUVIO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1694960

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                    The Materials Project. 2020.  
"Materials Data on KUVIO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1694960.  https://www.osti.gov/servlets/purl/1694960. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1694960,

  title        = {Materials Data on KUVIO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KUVO10I crystallizes in the orthorhombic Pba2 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.79–3.29 Å. U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of U–O bond distances ranging from 1.81–2.39 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.47 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one U, one V, and one I atom. The O–I bond length is 1.89 Å. In the second O site, O is bonded in a water-like geometry to one V and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one U atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one U, one V, and one I atom. The O–I bond length is 1.93 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one U atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one K, one V, and one I atom. The O–I bond length is 1.96 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to two equivalent K atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent V atoms. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one U, and one I atom. The O–I bond length is 1.87 Å. In the eleventh O site, O is bonded in a 3-coordinate geometry to one K, one U, and one I atom. The O–I bond length is 1.87 Å. I is bonded to six O atoms to form IO6 octahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°.},

  doi          = {10.17188/1694960},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1694960

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