Materials Data on CdSeO4 by Materials Project

doi:10.17188/1306056

Title: Materials Data on CdSeO4 by Materials Project

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Abstract

CdSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.51 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Se–O bond distances ranging from 1.66–1.70 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one Se6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-779156

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; CdSeO4; Cd-O-Se

OSTI Identifier:: 1306056

DOI:: https://doi.org/10.17188/1306056

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                    The Materials Project. Materials Data on CdSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306056.

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                    The Materials Project. Materials Data on CdSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306056

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                    The Materials Project. 2020.  
"Materials Data on CdSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306056.  https://www.osti.gov/servlets/purl/1306056. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1306056,

  title        = {Materials Data on CdSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.51 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Se–O bond distances ranging from 1.66–1.70 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one Se6+ atom.},

  doi          = {10.17188/1306056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1306056

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