Materials Data on Mn3Sb2(IO)4 by Materials Project

doi:10.17188/1729346

Title: Materials Data on Mn3Sb2(IO)4 by Materials Project

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Abstract

Mn3Sb2(OI)4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Mn3Sb2(OI)4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.06 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Mn–I bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.07 Å. There are two shorter (2.93 Å) and two longer (3.35 Å) Mn–I bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.06 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Sb3+ atom. There are two inequivalent I1- sites. In the firstmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1193915

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; Mn3Sb2(IO)4; I-Mn-O-Sb

OSTI Identifier:: 1729346

DOI:: https://doi.org/10.17188/1729346

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                    The Materials Project. Materials Data on Mn3Sb2(IO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729346.

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                    The Materials Project. Materials Data on Mn3Sb2(IO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729346

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                    The Materials Project. 2020.  
"Materials Data on Mn3Sb2(IO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729346.  https://www.osti.gov/servlets/purl/1729346. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729346,

  title        = {Materials Data on Mn3Sb2(IO)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Sb2(OI)4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Mn3Sb2(OI)4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.06 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Mn–I bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.07 Å. There are two shorter (2.93 Å) and two longer (3.35 Å) Mn–I bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.06 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Sb3+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Mn2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Mn2+ atoms.},

  doi          = {10.17188/1729346},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729346

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