Materials Data on NdBr2Cl by Materials Project

doi:10.17188/1733011

Title: Materials Data on NdBr2Cl by Materials Project

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Abstract

NdBr2Cl crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to seven Br1- and two Cl1- atoms. There are a spread of Nd–Br bond distances ranging from 3.02–3.18 Å. There are one shorter (3.05 Å) and one longer (3.15 Å) Nd–Cl bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to five Br1- and four Cl1- atoms. There are a spread of Nd–Br bond distances ranging from 3.04–3.27 Å. There are two shorter (2.89 Å) and two longer (2.92 Å) Nd–Cl bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonalmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1220195

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; NdBr2Cl; Br-Cl-Nd

OSTI Identifier:: 1733011

DOI:: https://doi.org/10.17188/1733011

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                    The Materials Project. Materials Data on NdBr2Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733011.

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                    The Materials Project. Materials Data on NdBr2Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1733011

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                    The Materials Project. 2020.  
"Materials Data on NdBr2Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1733011.  https://www.osti.gov/servlets/purl/1733011. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733011,

  title        = {Materials Data on NdBr2Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdBr2Cl crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to seven Br1- and two Cl1- atoms. There are a spread of Nd–Br bond distances ranging from 3.02–3.18 Å. There are one shorter (3.05 Å) and one longer (3.15 Å) Nd–Cl bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to five Br1- and four Cl1- atoms. There are a spread of Nd–Br bond distances ranging from 3.04–3.27 Å. There are two shorter (2.89 Å) and two longer (2.92 Å) Nd–Cl bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms.},

  doi          = {10.17188/1733011},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733011

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