Materials Data on Sr4Bi11 by Materials Project

doi:10.17188/1674525

Title: Materials Data on Sr4Bi11 by Materials Project

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Abstract

Sr4Bi11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.35–3.80 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.46–3.87 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to three Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.53 Å. In the second Bi site, Bi is bonded in a 6-coordinate geometry to two equivalent Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.48 Å. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Sr and one Bi atom. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to two Sr and two Bi atoms. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to three Sr and one Bimore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1218680

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; Sr4Bi11; Bi-Sr

OSTI Identifier:: 1674525

DOI:: https://doi.org/10.17188/1674525

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                    The Materials Project. Materials Data on Sr4Bi11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674525.

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                    The Materials Project. Materials Data on Sr4Bi11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674525

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                    The Materials Project. 2020.  
"Materials Data on Sr4Bi11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674525.  https://www.osti.gov/servlets/purl/1674525. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1674525,

  title        = {Materials Data on Sr4Bi11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4Bi11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.35–3.80 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.46–3.87 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to three Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.53 Å. In the second Bi site, Bi is bonded in a 6-coordinate geometry to two equivalent Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.48 Å. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Sr and one Bi atom. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to two Sr and two Bi atoms. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to three Sr and one Bi atom. In the sixth Bi site, Bi is bonded in a 8-coordinate geometry to four Sr and two equivalent Bi atoms.},

  doi          = {10.17188/1674525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674525

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