Materials Data on Cr3CdF6 by Materials Project

doi:10.17188/1662192

Title: Materials Data on Cr3CdF6 by Materials Project

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Abstract

Cr2CdF4CrF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one chromium(ii) fluoride molecule and one Cr2CdF4 sheet oriented in the (0, 0, 1) direction. In the Cr2CdF4 sheet, there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.98 Å. In the second Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.97 Å. Cd is bonded in a square co-planar geometry to four F atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Cd–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Cr and one Cd atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Cr and one Cd atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1214068

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; Cr3CdF6; Cd-Cr-F

OSTI Identifier:: 1662192

DOI:: https://doi.org/10.17188/1662192

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                    The Materials Project. Materials Data on Cr3CdF6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662192.

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                    The Materials Project. Materials Data on Cr3CdF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662192

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                    The Materials Project. 2019.  
"Materials Data on Cr3CdF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662192.  https://www.osti.gov/servlets/purl/1662192. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662192,

  title        = {Materials Data on Cr3CdF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2CdF4CrF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one chromium(ii) fluoride molecule and one Cr2CdF4 sheet oriented in the (0, 0, 1) direction. In the Cr2CdF4 sheet, there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.98 Å. In the second Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.97 Å. Cd is bonded in a square co-planar geometry to four F atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Cd–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Cr and one Cd atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Cr and one Cd atom.},

  doi          = {10.17188/1662192},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662192

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