Materials Data on RbLa(ClO)4 by Materials Project

doi:10.17188/1716938

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

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Abstract

RbLa(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 (3.34 Å) and two longer (3.51 Å) Rb–O bond lengths. There are two shorter (3.20 Å) and two longer (3.59 Å) Rb–Cl bond lengths. La is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both La–O bond lengths are 2.39 Å. There are two shorter (2.76 Å) and two longer (3.07 Å) La–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Rb, one La, and one Cl atom. The O–Cl bond length is 1.67 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.24 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one La and one O atom. In the second Cl site, Cl is bonded in a trigonal planar geometry to two equivalent Rb and onemore » La atom.« less

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

Other Number(s):: mp-1179722

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-La-O-Rb; RbLa(ClO)4; crystal structure

OSTI Identifier:: 1716938

DOI:: https://doi.org/10.17188/1716938

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                    Materials Data on RbLa(ClO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716938.

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                    Materials Data on RbLa(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716938

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                    2020.  
"Materials Data on RbLa(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716938.  https://www.osti.gov/servlets/purl/1716938. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1716938,

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

  
  abstractNote = {RbLa(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 (3.34 Å) and two longer (3.51 Å) Rb–O bond lengths. There are two shorter (3.20 Å) and two longer (3.59 Å) Rb–Cl bond lengths. La is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both La–O bond lengths are 2.39 Å. There are two shorter (2.76 Å) and two longer (3.07 Å) La–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Rb, one La, and one Cl atom. The O–Cl bond length is 1.67 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.24 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one La and one O atom. In the second Cl site, Cl is bonded in a trigonal planar geometry to two equivalent Rb and one La atom.},

  doi          = {10.17188/1716938},

  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/10.17188/1716938

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