skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Y7Te2 by Materials Project

Abstract

Y7Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 11-coordinate geometry to eleven Y atoms. There are a spread of Y–Y bond distances ranging from 3.30–3.87 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to two equivalent Y and three Te atoms. There are one shorter (3.11 Å) and two longer (3.13 Å) Y–Te bond lengths. In the third Y site, Y is bonded in a 2-coordinate geometry to three equivalent Y and two equivalent Te atoms. Both Y–Te bond lengths are 3.11 Å. In the fourth Y site, Y is bonded in a 4-coordinate geometry to one Y and four Te atoms. There are a spread of Y–Te bond distances ranging from 3.14–3.66 Å. In the fifth Y site, Y is bonded in a distorted single-bond geometry to two equivalent Y and one Te atom. The Y–Te bond length is 3.27 Å. In the sixth Y site, Y is bonded in a distorted single-bond geometry to one Y and one Te atom. The Y–Te bond length is 3.29 Å. In the seventh Y site, Ymore » is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Y–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Y atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Y atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642301
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; Y7Te2; Te-Y
OSTI Identifier:
1280104
DOI:
10.17188/1280104

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y7Te2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280104.
Persson, Kristin, & Project, Materials. Materials Data on Y7Te2 by Materials Project. United States. doi:10.17188/1280104.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Y7Te2 by Materials Project". United States. doi:10.17188/1280104. https://www.osti.gov/servlets/purl/1280104. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280104,
title = {Materials Data on Y7Te2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y7Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 11-coordinate geometry to eleven Y atoms. There are a spread of Y–Y bond distances ranging from 3.30–3.87 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to two equivalent Y and three Te atoms. There are one shorter (3.11 Å) and two longer (3.13 Å) Y–Te bond lengths. In the third Y site, Y is bonded in a 2-coordinate geometry to three equivalent Y and two equivalent Te atoms. Both Y–Te bond lengths are 3.11 Å. In the fourth Y site, Y is bonded in a 4-coordinate geometry to one Y and four Te atoms. There are a spread of Y–Te bond distances ranging from 3.14–3.66 Å. In the fifth Y site, Y is bonded in a distorted single-bond geometry to two equivalent Y and one Te atom. The Y–Te bond length is 3.27 Å. In the sixth Y site, Y is bonded in a distorted single-bond geometry to one Y and one Te atom. The Y–Te bond length is 3.29 Å. In the seventh Y site, Y is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Y–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Y atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Y atoms.},
doi = {10.17188/1280104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: