Materials Data on CsNd(ClO)4 by Materials Project

doi:10.17188/1723901

Title: Materials Data on CsNd(ClO)4 by Materials Project

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Abstract

CsNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.41 Å) and two longer (3.81 Å) Cs–O bond lengths. There are two shorter (3.35 Å) and two longer (3.71 Å) Cs–Cl bond lengths. Nd is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Nd–O bond lengths are 2.36 Å. There are two shorter (2.71 Å) and two longer (2.95 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cs, one Nd, and one Cl atom. The O–Cl bond length is 1.67 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Cs and one O atom. The O–O bond length is 1.23 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Nd and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalentmore » Cs and one Nd atom.« less

Publication Date:: 2020-04-30

Other Number(s):: mp-1189250

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Cs-Nd-O; CsNd(ClO)4; crystal structure

OSTI Identifier:: 1723901

DOI:: https://doi.org/10.17188/1723901

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                    Materials Data on CsNd(ClO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723901.

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                    Materials Data on CsNd(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723901

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                    2020.  
"Materials Data on CsNd(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723901.  https://www.osti.gov/servlets/purl/1723901. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1723901,

  title        = {Materials Data on CsNd(ClO)4 by Materials Project},

  
  abstractNote = {CsNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.41 Å) and two longer (3.81 Å) Cs–O bond lengths. There are two shorter (3.35 Å) and two longer (3.71 Å) Cs–Cl bond lengths. Nd is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Nd–O bond lengths are 2.36 Å. There are two shorter (2.71 Å) and two longer (2.95 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cs, one Nd, and one Cl atom. The O–Cl bond length is 1.67 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Cs and one O atom. The O–O bond length is 1.23 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Nd and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent Cs and one Nd atom.},

  doi          = {10.17188/1723901},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1723901

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