Materials Data on LaH6(ClO3)3 by Materials Project

doi:10.17188/1268000

Title: Materials Data on LaH6(ClO3)3 by Materials Project

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Abstract

LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La is bonded in a distorted q6 geometry to nine O atoms. There are three shorter (2.58 Å) and six longer (2.59 Å) La–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one La and two equivalent H atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-554650

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; LaH6(ClO3)3; Cl-H-La-O

OSTI Identifier:: 1268000

DOI:: https://doi.org/10.17188/1268000

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                    The Materials Project. Materials Data on LaH6(ClO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268000.

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                    The Materials Project. Materials Data on LaH6(ClO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268000

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                    The Materials Project. 2020.  
"Materials Data on LaH6(ClO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268000.  https://www.osti.gov/servlets/purl/1268000. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1268000,

  title        = {Materials Data on LaH6(ClO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La is bonded in a distorted q6 geometry to nine O atoms. There are three shorter (2.58 Å) and six longer (2.59 Å) La–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one La and two equivalent H atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.},

  doi          = {10.17188/1268000},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268000

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