Materials Data on Ba2Cd3Bi4 by Materials Project

doi:10.17188/1274671

Title: Materials Data on Ba2Cd3Bi4 by Materials Project

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Abstract

Ba2Cd3Bi4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to two equivalent Cd and eight Bi atoms. Both Ba–Cd bond lengths are 3.75 Å. There are a spread of Ba–Bi bond distances ranging from 3.71–3.85 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to two equivalent Ba and five Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.00–3.41 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to six Bi atoms. There are four shorter (3.10 Å) and two longer (3.33 Å) Cd–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Ba and five Cd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to four equivalent Ba and three Cd atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-568744

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; Ba2Cd3Bi4; Ba-Bi-Cd

OSTI Identifier:: 1274671

DOI:: https://doi.org/10.17188/1274671

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                    The Materials Project. Materials Data on Ba2Cd3Bi4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274671.

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                    The Materials Project. Materials Data on Ba2Cd3Bi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274671

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                    The Materials Project. 2020.  
"Materials Data on Ba2Cd3Bi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274671.  https://www.osti.gov/servlets/purl/1274671. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1274671,

  title        = {Materials Data on Ba2Cd3Bi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2Cd3Bi4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to two equivalent Cd and eight Bi atoms. Both Ba–Cd bond lengths are 3.75 Å. There are a spread of Ba–Bi bond distances ranging from 3.71–3.85 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to two equivalent Ba and five Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.00–3.41 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to six Bi atoms. There are four shorter (3.10 Å) and two longer (3.33 Å) Cd–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Ba and five Cd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to four equivalent Ba and three Cd atoms.},

  doi          = {10.17188/1274671},

  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/10.17188/1274671

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