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Title: Materials Data on Pr2Si5Pt3 by Materials Project

Abstract

Pr2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 1-coordinate geometry to seven Pt+0.67- and ten Si+0.80- atoms. There are a spread of Pr–Pt bond distances ranging from 3.18–3.45 Å. There are a spread of Pr–Si bond distances ranging from 3.07–3.31 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and six Si+0.80- atoms. There are four shorter (2.53 Å) and two longer (2.68 Å) Pt–Si bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded in a 5-coordinate geometry to five equivalent Pr3+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.47 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pt+0.67- atoms. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Pr3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the third Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Pr3+, three Pt+0.67-, and two equivalentmore » Si+0.80- atoms.« less

Publication Date:
Other Number(s):
mp-1106159
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2Si5Pt3; Pr-Pt-Si
OSTI Identifier:
1749281
DOI:
https://doi.org/10.17188/1749281

Citation Formats

The Materials Project. Materials Data on Pr2Si5Pt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749281.
The Materials Project. Materials Data on Pr2Si5Pt3 by Materials Project. United States. doi:https://doi.org/10.17188/1749281
The Materials Project. 2020. "Materials Data on Pr2Si5Pt3 by Materials Project". United States. doi:https://doi.org/10.17188/1749281. https://www.osti.gov/servlets/purl/1749281. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749281,
title = {Materials Data on Pr2Si5Pt3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 1-coordinate geometry to seven Pt+0.67- and ten Si+0.80- atoms. There are a spread of Pr–Pt bond distances ranging from 3.18–3.45 Å. There are a spread of Pr–Si bond distances ranging from 3.07–3.31 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and six Si+0.80- atoms. There are four shorter (2.53 Å) and two longer (2.68 Å) Pt–Si bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded in a 5-coordinate geometry to five equivalent Pr3+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.47 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pt+0.67- atoms. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Pr3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the third Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Pr3+, three Pt+0.67-, and two equivalent Si+0.80- atoms.},
doi = {10.17188/1749281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}