Materials Data on CdSO4 by Materials Project

doi:10.17188/1274113

Title: Materials Data on CdSO4 by Materials Project

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Abstract

CdSO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.54 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-5679

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; CdSO4; Cd-O-S

OSTI Identifier:: 1274113

DOI:: https://doi.org/10.17188/1274113

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                    The Materials Project. Materials Data on CdSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274113.

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                    The Materials Project. Materials Data on CdSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274113

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                    The Materials Project. 2020.  
"Materials Data on CdSO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274113.  https://www.osti.gov/servlets/purl/1274113. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274113,

  title        = {Materials Data on CdSO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdSO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.54 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one S6+ atom.},

  doi          = {10.17188/1274113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274113

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