Materials Data on Fe(NCl)2 by Materials Project

doi:10.17188/1651651

Title: Materials Data on Fe(NCl)2 by Materials Project

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Abstract

Fe(NCl)2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two Fe(NCl)2 ribbons oriented in the (0, 0, 1) direction. Fe2+ is bonded to two equivalent N and four equivalent Cl1- atoms to form edge-sharing FeN2Cl4 octahedra. Both Fe–N bond lengths are 1.68 Å. All Fe–Cl bond lengths are 2.32 Å. N is bonded in a single-bond geometry to one Fe2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1097773

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; Fe(NCl)2; Cl-Fe-N

OSTI Identifier:: 1651651

DOI:: https://doi.org/10.17188/1651651

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                    The Materials Project. Materials Data on Fe(NCl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651651.

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                    The Materials Project. Materials Data on Fe(NCl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651651

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                    The Materials Project. 2020.  
"Materials Data on Fe(NCl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651651.  https://www.osti.gov/servlets/purl/1651651. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1651651,

  title        = {Materials Data on Fe(NCl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe(NCl)2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two Fe(NCl)2 ribbons oriented in the (0, 0, 1) direction. Fe2+ is bonded to two equivalent N and four equivalent Cl1- atoms to form edge-sharing FeN2Cl4 octahedra. Both Fe–N bond lengths are 1.68 Å. All Fe–Cl bond lengths are 2.32 Å. N is bonded in a single-bond geometry to one Fe2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Fe2+ atoms.},

  doi          = {10.17188/1651651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651651

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Materials Data on Fe(NCl)2 by Materials Project

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Fe(NCl)2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two Fe(NCl)2 ribbons oriented in the (0, 0, 1) direction. Fe2+ is bonded to two equivalent N and four equivalent Cl1- atoms to form edge-sharing FeN2Cl4 octahedra. Both Fe–N bond lengths are 1.70 Å. All Fe–Cl bond lengths are 2.31 Å. N is bonded in a single-bond geometry to one Fe2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Fe2+ atoms.
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