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Title: Materials Data on Pr3Sb4Pt7 by Materials Project

Abstract

Pr3Pt7Sb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Pt+1.43- atoms. There are a spread of Pr–Pt bond distances ranging from 3.11–3.32 Å. In the second Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to ten Pt+1.43- atoms. There are a spread of Pr–Pt bond distances ranging from 3.20–3.62 Å. There are four inequivalent Pt+1.43- sites. In the first Pt+1.43- site, Pt+1.43- is bonded in a 10-coordinate geometry to four Pr3+, one Pt+1.43-, and four Sb+0.25+ atoms. The Pt–Pt bond length is 2.87 Å. There are a spread of Pt–Sb bond distances ranging from 2.65–2.78 Å. In the second Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to four Pr3+, five Pt+1.43-, and three Sb+0.25+ atoms. There are two shorter (2.85 Å) and two longer (3.16 Å) Pt–Pt bond lengths. There are two shorter (2.77 Å) and one longer (2.78 Å) Pt–Sb bond lengths. In the third Pt+1.43- site, Pt+1.43- is bonded in a 6-coordinate geometry to three Pr3+, two equivalent Pt+1.43-, and three equivalent Sb+0.25+ atoms. There are two shorter (2.70 Å) and onemore » longer (2.79 Å) Pt–Sb bond lengths. In the fourth Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to four equivalent Pr3+, four equivalent Pt+1.43-, and two equivalent Sb+0.25+ atoms. Both Pt–Sb bond lengths are 2.77 Å. There are two inequivalent Sb+0.25+ sites. In the first Sb+0.25+ site, Sb+0.25+ is bonded in a 6-coordinate geometry to six Pt+1.43- atoms. In the second Sb+0.25+ site, Sb+0.25+ is bonded to five Pt+1.43- atoms to form a mixture of distorted corner and edge-sharing SbPt5 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1209759
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; Pr3Sb4Pt7; Pr-Pt-Sb
OSTI Identifier:
1708584
DOI:
https://doi.org/10.17188/1708584

Citation Formats

The Materials Project. Materials Data on Pr3Sb4Pt7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708584.
The Materials Project. Materials Data on Pr3Sb4Pt7 by Materials Project. United States. doi:https://doi.org/10.17188/1708584
The Materials Project. 2019. "Materials Data on Pr3Sb4Pt7 by Materials Project". United States. doi:https://doi.org/10.17188/1708584. https://www.osti.gov/servlets/purl/1708584. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708584,
title = {Materials Data on Pr3Sb4Pt7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Pt7Sb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Pt+1.43- atoms. There are a spread of Pr–Pt bond distances ranging from 3.11–3.32 Å. In the second Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to ten Pt+1.43- atoms. There are a spread of Pr–Pt bond distances ranging from 3.20–3.62 Å. There are four inequivalent Pt+1.43- sites. In the first Pt+1.43- site, Pt+1.43- is bonded in a 10-coordinate geometry to four Pr3+, one Pt+1.43-, and four Sb+0.25+ atoms. The Pt–Pt bond length is 2.87 Å. There are a spread of Pt–Sb bond distances ranging from 2.65–2.78 Å. In the second Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to four Pr3+, five Pt+1.43-, and three Sb+0.25+ atoms. There are two shorter (2.85 Å) and two longer (3.16 Å) Pt–Pt bond lengths. There are two shorter (2.77 Å) and one longer (2.78 Å) Pt–Sb bond lengths. In the third Pt+1.43- site, Pt+1.43- is bonded in a 6-coordinate geometry to three Pr3+, two equivalent Pt+1.43-, and three equivalent Sb+0.25+ atoms. There are two shorter (2.70 Å) and one longer (2.79 Å) Pt–Sb bond lengths. In the fourth Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to four equivalent Pr3+, four equivalent Pt+1.43-, and two equivalent Sb+0.25+ atoms. Both Pt–Sb bond lengths are 2.77 Å. There are two inequivalent Sb+0.25+ sites. In the first Sb+0.25+ site, Sb+0.25+ is bonded in a 6-coordinate geometry to six Pt+1.43- atoms. In the second Sb+0.25+ site, Sb+0.25+ is bonded to five Pt+1.43- atoms to form a mixture of distorted corner and edge-sharing SbPt5 trigonal bipyramids.},
doi = {10.17188/1708584},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}