Materials Data on SrNd3Fe4(AsO)4 by Materials Project

doi:10.17188/1730750

Title: Materials Data on SrNd3Fe4(AsO)4 by Materials Project

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Abstract

SrNd3Fe4(AsO)4 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.46 Å. All Sr–O bond lengths are 2.46 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.54 Å. All Nd–O bond lengths are 2.30 Å. In the second Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.52 Å. All Nd–O bond lengths are 2.32 Å. Fe+2.25+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.62 Å) Fe–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe+2.25+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe+2.25+ atoms. In the third As3-more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1218216

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; SrNd3Fe4(AsO)4; As-Fe-Nd-O-Sr

OSTI Identifier:: 1730750

DOI:: https://doi.org/10.17188/1730750

Citation Formats


                    The Materials Project. Materials Data on SrNd3Fe4(AsO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730750.

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                    The Materials Project. Materials Data on SrNd3Fe4(AsO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730750

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                    The Materials Project. 2020.  
"Materials Data on SrNd3Fe4(AsO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730750.  https://www.osti.gov/servlets/purl/1730750. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1730750,

  title        = {Materials Data on SrNd3Fe4(AsO)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrNd3Fe4(AsO)4 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.46 Å. All Sr–O bond lengths are 2.46 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.54 Å. All Nd–O bond lengths are 2.30 Å. In the second Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.52 Å. All Nd–O bond lengths are 2.32 Å. Fe+2.25+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.62 Å) Fe–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe+2.25+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe+2.25+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to two equivalent Sr2+, two equivalent Nd3+, and four equivalent Fe+2.25+ atoms. O2- is bonded to one Sr2+ and three Nd3+ atoms to form a mixture of corner and edge-sharing OSrNd3 tetrahedra.},

  doi          = {10.17188/1730750},

  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/10.17188/1730750

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