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Title: Materials Data on PrSi2Ag by Materials Project

Abstract

PrAgSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ag and ten Si atoms. There are two shorter (3.41 Å) and two longer (3.47 Å) Pr–Ag bond lengths. There are a spread of Pr–Si bond distances ranging from 3.13–3.25 Å. Ag is bonded to four equivalent Pr, four equivalent Ag, and four equivalent Si atoms to form a mixture of distorted corner and face-sharing AgPr4Si4Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.02 Å. There are two shorter (2.60 Å) and two longer (2.62 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. There are one shorter (2.33 Å) and two longer (2.42 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ag, and one Si atom.

Authors:
Publication Date:
Other Number(s):
mp-1025554
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; PrSi2Ag; Ag-Pr-Si
OSTI Identifier:
1355504
DOI:
https://doi.org/10.17188/1355504

Citation Formats

The Materials Project. Materials Data on PrSi2Ag by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355504.
The Materials Project. Materials Data on PrSi2Ag by Materials Project. United States. doi:https://doi.org/10.17188/1355504
The Materials Project. 2020. "Materials Data on PrSi2Ag by Materials Project". United States. doi:https://doi.org/10.17188/1355504. https://www.osti.gov/servlets/purl/1355504. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355504,
title = {Materials Data on PrSi2Ag by Materials Project},
author = {The Materials Project},
abstractNote = {PrAgSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ag and ten Si atoms. There are two shorter (3.41 Å) and two longer (3.47 Å) Pr–Ag bond lengths. There are a spread of Pr–Si bond distances ranging from 3.13–3.25 Å. Ag is bonded to four equivalent Pr, four equivalent Ag, and four equivalent Si atoms to form a mixture of distorted corner and face-sharing AgPr4Si4Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.02 Å. There are two shorter (2.60 Å) and two longer (2.62 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. There are one shorter (2.33 Å) and two longer (2.42 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ag, and one Si atom.},
doi = {10.17188/1355504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}