Materials Data on RbNd(ClO)4 by Materials Project

doi:10.17188/1747190

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

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Abstract

RbNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.26 Å) and two longer (3.48 Å) Rb–O bond lengths. There are two shorter (3.18 Å) and two longer (3.69 Å) Rb–Cl bond lengths. Nd is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Nd–O bond lengths are 2.38 Å. There are two shorter (2.70 Å) and two longer (2.97 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 Rb and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a distorted water-like geometry to one Rb, one Nd, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like 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 Rb and onemore » Nd atom.« less

Publication Date:: 2020-05-01

Other Number(s):: mp-1209513

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-Nd-O-Rb; crystal structure; RbNd(ClO)4

OSTI Identifier:: 1747190

DOI:: https://doi.org/10.17188/1747190

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                    Materials Data on RbNd(ClO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747190.

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                    Materials Data on RbNd(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747190

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                    2020.  
"Materials Data on RbNd(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747190.  https://www.osti.gov/servlets/purl/1747190. Pub date:Fri May 01 20:00:00 EDT 2020

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@article{osti_1747190,

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

  
  abstractNote = {RbNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.26 Å) and two longer (3.48 Å) Rb–O bond lengths. There are two shorter (3.18 Å) and two longer (3.69 Å) Rb–Cl bond lengths. Nd is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Nd–O bond lengths are 2.38 Å. There are two shorter (2.70 Å) and two longer (2.97 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 Rb and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a distorted water-like geometry to one Rb, one Nd, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like 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 Rb and one Nd atom.},

  doi          = {10.17188/1747190},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1747190

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