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Title: Materials Data on Dy(TiGa2)2 by Materials Project

Abstract

Dy(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.90 Å) and eight longer (3.32 Å) Dy–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.80 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Gamore » atoms. Both Ga–Ga bond lengths are 2.68 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1025364
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; Dy(TiGa2)2; Dy-Ga-Ti
OSTI Identifier:
1355550
DOI:
https://doi.org/10.17188/1355550

Citation Formats

The Materials Project. Materials Data on Dy(TiGa2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1355550.
The Materials Project. Materials Data on Dy(TiGa2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355550
The Materials Project. 2017. "Materials Data on Dy(TiGa2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355550. https://www.osti.gov/servlets/purl/1355550. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1355550,
title = {Materials Data on Dy(TiGa2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.90 Å) and eight longer (3.32 Å) Dy–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.80 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.},
doi = {10.17188/1355550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}