Materials Data on Dy2FeMoO7 by Materials Project

doi:10.17188/1744405

Title: Materials Data on Dy2FeMoO7 by Materials Project

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Abstract

DyFeO3DyO2MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two molybdenum (iv)oxide molecules; two DyO2 ribbons oriented in the (1, 0, 0) direction; and one DyFeO3 framework. In each DyO2 ribbon, Dy3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Dy–O bond distances ranging from 1.75–8.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the DyFeO3 framework, there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.63 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.59 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.33–2.68 Å. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1225454

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; Dy2FeMoO7; Dy-Fe-Mo-O

OSTI Identifier:: 1744405

DOI:: https://doi.org/10.17188/1744405

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                    The Materials Project. Materials Data on Dy2FeMoO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744405.

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                    The Materials Project. Materials Data on Dy2FeMoO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744405

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                    The Materials Project. 2020.  
"Materials Data on Dy2FeMoO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744405.  https://www.osti.gov/servlets/purl/1744405. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1744405,

  title        = {Materials Data on Dy2FeMoO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyFeO3DyO2MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two molybdenum (iv)oxide molecules; two DyO2 ribbons oriented in the (1, 0, 0) direction; and one DyFeO3 framework. In each DyO2 ribbon, Dy3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Dy–O bond distances ranging from 1.75–8.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the DyFeO3 framework, there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.63 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.59 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.33–2.68 Å. In the second Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Dy3+ and one Fe2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Dy3+ and one Fe2+ atom.},

  doi          = {10.17188/1744405},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1744405

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