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Title: Materials Data on Dy3TaO7 by Materials Project

Abstract

Dy3TaO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Dy–O bond distances ranging from 2.26–2.30 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Dy–O bond distances ranging from 2.26–2.31 Å. In the third Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.08–2.55 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.08–2.54 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.09–2.50 Å. In the sixth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–Omore » bond distances ranging from 2.09–2.50 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ta–O bond distances ranging from 2.00–2.50 Å. In the second Ta5+ site, Ta5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ta–O bond distances ranging from 2.00–2.49 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the second O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the fourth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the fifth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the sixth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the ninth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the tenth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the eleventh O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the thirteenth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy4 tetrahedra and edges with four ODy3Ta tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-674513
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; Dy3TaO7; Dy-O-Ta
OSTI Identifier:
1282511
DOI:
https://doi.org/10.17188/1282511

Citation Formats

The Materials Project. Materials Data on Dy3TaO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282511.
The Materials Project. Materials Data on Dy3TaO7 by Materials Project. United States. doi:https://doi.org/10.17188/1282511
The Materials Project. 2020. "Materials Data on Dy3TaO7 by Materials Project". United States. doi:https://doi.org/10.17188/1282511. https://www.osti.gov/servlets/purl/1282511. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1282511,
title = {Materials Data on Dy3TaO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3TaO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Dy–O bond distances ranging from 2.26–2.30 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Dy–O bond distances ranging from 2.26–2.31 Å. In the third Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.08–2.55 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.08–2.54 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.09–2.50 Å. In the sixth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.09–2.50 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ta–O bond distances ranging from 2.00–2.50 Å. In the second Ta5+ site, Ta5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ta–O bond distances ranging from 2.00–2.49 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the second O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the fourth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the fifth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the sixth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the ninth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the tenth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the eleventh O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ta tetrahedra. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ta5+ atoms. In the thirteenth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with ten ODy3Ta tetrahedra and edges with three ODy4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy4 tetrahedra and edges with four ODy3Ta tetrahedra.},
doi = {10.17188/1282511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}