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Title: Materials Data on Dy2FeMoO7 by Materials Project

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 » 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.« less

Publication Date:
Other Number(s):
mp-1225454
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Dy2FeMoO7; Dy-Fe-Mo-O
OSTI Identifier:
1744405
DOI:
https://doi.org/10.17188/1744405

Citation Formats

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