Materials Data on Sr3Bi(ClO)3 by Materials Project

doi:10.17188/1270434

Title: Materials Data on Sr3Bi(ClO)3 by Materials Project

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Abstract

BiSr3O3Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.91–3.30 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site,more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-558642

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; Sr3Bi(ClO)3; Bi-Cl-O-Sr

OSTI Identifier:: 1270434

DOI:: https://doi.org/10.17188/1270434

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                    The Materials Project. Materials Data on Sr3Bi(ClO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270434.

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                    The Materials Project. Materials Data on Sr3Bi(ClO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270434

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                    The Materials Project. 2020.  
"Materials Data on Sr3Bi(ClO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270434.  https://www.osti.gov/servlets/purl/1270434. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1270434,

  title        = {Materials Data on Sr3Bi(ClO)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiSr3O3Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.91–3.30 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Sr2+ atoms.},

  doi          = {10.17188/1270434},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270434

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