Materials Data on Cs2Mn(Cl2O)2 by Materials Project

doi:10.17188/1675556

Title: Materials Data on Cs2Mn(Cl2O)2 by Materials Project

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Abstract

Cs2Mn(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to two equivalent O and eight Cl atoms. There are one shorter (3.26 Å) and one longer (3.76 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.53–3.82 Å. Mn is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Mn–O bond lengths are 1.72 Å. All Mn–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to two equivalent Cs and one Mn atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Mn atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1080610

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; Cs2Mn(Cl2O)2; Cl-Cs-Mn-O

OSTI Identifier:: 1675556

DOI:: https://doi.org/10.17188/1675556

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                    The Materials Project. Materials Data on Cs2Mn(Cl2O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675556.

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                    The Materials Project. Materials Data on Cs2Mn(Cl2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675556

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                    The Materials Project. 2020.  
"Materials Data on Cs2Mn(Cl2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675556.  https://www.osti.gov/servlets/purl/1675556. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675556,

  title        = {Materials Data on Cs2Mn(Cl2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Mn(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to two equivalent O and eight Cl atoms. There are one shorter (3.26 Å) and one longer (3.76 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.53–3.82 Å. Mn is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Mn–O bond lengths are 1.72 Å. All Mn–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to two equivalent Cs and one Mn atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Mn atom.},

  doi          = {10.17188/1675556},

  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/10.17188/1675556

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