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Title: Materials Data on Dy3Si4 by Materials Project

Abstract

Dy3Si4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.91–3.06 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.90–3.11 Å. In the third Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.81–3.07 Å. In the fourth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.82–3.01 Å. In the fifth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.03 Å. In the sixth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.05 Å. In the seventh Dy site, Dy is bonded to twelve Si atoms to formmore » a mixture of distorted edge and face-sharing DySi12 cuboctahedra. There are a spread of Dy–Si bond distances ranging from 2.98–3.30 Å. In the eighth Dy site, Dy is bonded to eight Si atoms to form a mixture of distorted edge, corner, and face-sharing DySi8 hexagonal bipyramids. There are a spread of Dy–Si bond distances ranging from 3.00–3.18 Å. In the ninth Dy site, Dy is bonded to eight Si atoms to form a mixture of distorted edge, corner, and face-sharing DySi8 hexagonal bipyramids. There are a spread of Dy–Si bond distances ranging from 3.01–3.16 Å. In the tenth Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 3.01–3.33 Å. In the eleventh Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 3.00–3.34 Å. In the twelfth Dy site, Dy is bonded to twelve Si atoms to form a mixture of distorted edge and face-sharing DySi12 cuboctahedra. There are a spread of Dy–Si bond distances ranging from 2.97–3.30 Å. There are sixteen inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.49 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.37 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.37 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. Both Si–Si bond lengths are 2.43 Å. In the sixth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Si–Si bond lengths. In the seventh Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the eighth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the ninth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the tenth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the eleventh Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the twelfth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the thirteenth Si site, Si is bonded in a 7-coordinate geometry to six Dy and one Si atom. In the fourteenth Si site, Si is bonded in a 7-coordinate geometry to six Dy and one Si atom. In the fifteenth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. Both Si–Si bond lengths are 2.23 Å. In the sixteenth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226390
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; Dy3Si4; Dy-Si
OSTI Identifier:
1731407
DOI:
https://doi.org/10.17188/1731407

Citation Formats

The Materials Project. Materials Data on Dy3Si4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731407.
The Materials Project. Materials Data on Dy3Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1731407
The Materials Project. 2019. "Materials Data on Dy3Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1731407. https://www.osti.gov/servlets/purl/1731407. Pub date:Fri Apr 19 00:00:00 EDT 2019
@article{osti_1731407,
title = {Materials Data on Dy3Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Si4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.91–3.06 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.90–3.11 Å. In the third Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.81–3.07 Å. In the fourth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.82–3.01 Å. In the fifth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.03 Å. In the sixth Dy site, Dy is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.05 Å. In the seventh Dy site, Dy is bonded to twelve Si atoms to form a mixture of distorted edge and face-sharing DySi12 cuboctahedra. There are a spread of Dy–Si bond distances ranging from 2.98–3.30 Å. In the eighth Dy site, Dy is bonded to eight Si atoms to form a mixture of distorted edge, corner, and face-sharing DySi8 hexagonal bipyramids. There are a spread of Dy–Si bond distances ranging from 3.00–3.18 Å. In the ninth Dy site, Dy is bonded to eight Si atoms to form a mixture of distorted edge, corner, and face-sharing DySi8 hexagonal bipyramids. There are a spread of Dy–Si bond distances ranging from 3.01–3.16 Å. In the tenth Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 3.01–3.33 Å. In the eleventh Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 3.00–3.34 Å. In the twelfth Dy site, Dy is bonded to twelve Si atoms to form a mixture of distorted edge and face-sharing DySi12 cuboctahedra. There are a spread of Dy–Si bond distances ranging from 2.97–3.30 Å. There are sixteen inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.49 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.37 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.37 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. Both Si–Si bond lengths are 2.43 Å. In the sixth Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Si–Si bond lengths. In the seventh Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the eighth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the ninth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the tenth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the eleventh Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the twelfth Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Si atoms. In the thirteenth Si site, Si is bonded in a 7-coordinate geometry to six Dy and one Si atom. In the fourteenth Si site, Si is bonded in a 7-coordinate geometry to six Dy and one Si atom. In the fifteenth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms. Both Si–Si bond lengths are 2.23 Å. In the sixteenth Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms.},
doi = {10.17188/1731407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {4}
}