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Title: Materials Data on DyTe3O8 by Materials Project

Abstract

DyTe3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.49 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of Te–O bond distances ranging from 1.97–2.23 Å. In the second Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Dy and two Te atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Dy and two Te atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Dy and two equivalent Te atoms. In the fourth O site, O ismore » bonded in a distorted trigonal non-coplanar geometry to one Dy and two Te atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756897
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; DyTe3O8; Dy-O-Te
OSTI Identifier:
1290654
DOI:
10.17188/1290654

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on DyTe3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290654.
Persson, Kristin, & Project, Materials. Materials Data on DyTe3O8 by Materials Project. United States. doi:10.17188/1290654.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on DyTe3O8 by Materials Project". United States. doi:10.17188/1290654. https://www.osti.gov/servlets/purl/1290654. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290654,
title = {Materials Data on DyTe3O8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {DyTe3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.49 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of Te–O bond distances ranging from 1.97–2.23 Å. In the second Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Dy and two Te atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Dy and two Te atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Dy and two equivalent Te atoms. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Dy and two Te atoms.},
doi = {10.17188/1290654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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