Materials Data on Cd2BiAsO6 by Materials Project

doi:10.17188/1269464

Title: Materials Data on Cd2BiAsO6 by Materials Project

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Abstract

BiCd2AsO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.26–2.82 Å. Bi3+ is bonded in a 7-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.23 Å) and two longer (2.27 Å) Bi–O bond lengths. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCd2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Cd2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-556653

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; Cd2BiAsO6; As-Bi-Cd-O

OSTI Identifier:: 1269464

DOI:: https://doi.org/10.17188/1269464

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                    The Materials Project. Materials Data on Cd2BiAsO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269464.

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                    The Materials Project. Materials Data on Cd2BiAsO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269464

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                    The Materials Project. 2020.  
"Materials Data on Cd2BiAsO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269464.  https://www.osti.gov/servlets/purl/1269464. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1269464,

  title        = {Materials Data on Cd2BiAsO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiCd2AsO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.26–2.82 Å. Bi3+ is bonded in a 7-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.23 Å) and two longer (2.27 Å) Bi–O bond lengths. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCd2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Cd2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one As5+ atom.},

  doi          = {10.17188/1269464},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269464

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