Title: Materials Data on Pr2ZnAs4 by Materials Project

Abstract

Pr2ZnAs4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.20 Å) Pr–As bond lengths. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.53 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent As2- atoms. All As–As bond lengths are 2.82 Å.

Publication Date:
Other Number(s):
mp-1219837
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; As-Pr-Zn; crystal structure; Pr2ZnAs4
OSTI Identifier:
1711553
DOI:
https://doi.org/10.17188/1711553

Citation Formats

Materials Data on Pr2ZnAs4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711553.
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Materials Data on Pr2ZnAs4 by Materials Project. United States. doi:https://doi.org/10.17188/1711553
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2020. "Materials Data on Pr2ZnAs4 by Materials Project". United States. doi:https://doi.org/10.17188/1711553. https://www.osti.gov/servlets/purl/1711553. Pub date:Fri May 01 20:00:00 EDT 2020
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@article{osti_1711553,
title = {Materials Data on Pr2ZnAs4 by Materials Project},
abstractNote = {Pr2ZnAs4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.20 Å) Pr–As bond lengths. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.53 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent As2- atoms. All As–As bond lengths are 2.82 Å.},
doi = {10.17188/1711553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1711553
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