Materials Data on NdClO2 by Materials Project

doi:10.17188/1759585

Title: Materials Data on NdClO2 by Materials Project

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Abstract

NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1206067

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; NdClO2; Cl-Nd-O

OSTI Identifier:: 1759585

DOI:: https://doi.org/10.17188/1759585

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                    The Materials Project. Materials Data on NdClO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759585.

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                    The Materials Project. Materials Data on NdClO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759585

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                    The Materials Project. 2020.  
"Materials Data on NdClO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759585.  https://www.osti.gov/servlets/purl/1759585. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759585,

  title        = {Materials Data on NdClO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.},

  doi          = {10.17188/1759585},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759585

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