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Title: Materials Data on Pr2MgSi4 by Materials Project

Abstract

MgPr2Si4 crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four Si2- atoms. All Mg–Si bond lengths are 2.79 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.04–3.29 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.05–3.29 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. There are two shorter (2.49 Å) and onemore » longer (2.89 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. The Si–Si bond length is 2.85 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1210440
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; Pr2MgSi4; Mg-Pr-Si
OSTI Identifier:
1716989
DOI:
https://doi.org/10.17188/1716989

Citation Formats

The Materials Project. Materials Data on Pr2MgSi4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1716989.
The Materials Project. Materials Data on Pr2MgSi4 by Materials Project. United States. doi:https://doi.org/10.17188/1716989
The Materials Project. 2019. "Materials Data on Pr2MgSi4 by Materials Project". United States. doi:https://doi.org/10.17188/1716989. https://www.osti.gov/servlets/purl/1716989. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1716989,
title = {Materials Data on Pr2MgSi4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPr2Si4 crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four Si2- atoms. All Mg–Si bond lengths are 2.79 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.04–3.29 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.05–3.29 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. There are two shorter (2.49 Å) and one longer (2.89 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. The Si–Si bond length is 2.85 Å.},
doi = {10.17188/1716989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}