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Title: Materials Data on Sr(CuSb)2 by Materials Project

Abstract

SrCu2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.43 Å) and four longer (3.67 Å) Sr–Sb bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.57 Å) and four longer (2.72 Å) Cu–Sb bond lengths. In the second Cu2+ site, Cu2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Cu2+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted face and edge-sharing SbSr4Cu4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505515
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; Sr(CuSb)2; Cu-Sb-Sr
OSTI Identifier:
1262565
DOI:
10.17188/1262565

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr(CuSb)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262565.
Persson, Kristin, & Project, Materials. Materials Data on Sr(CuSb)2 by Materials Project. United States. doi:10.17188/1262565.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr(CuSb)2 by Materials Project". United States. doi:10.17188/1262565. https://www.osti.gov/servlets/purl/1262565. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262565,
title = {Materials Data on Sr(CuSb)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrCu2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.43 Å) and four longer (3.67 Å) Sr–Sb bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.57 Å) and four longer (2.72 Å) Cu–Sb bond lengths. In the second Cu2+ site, Cu2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Cu2+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted face and edge-sharing SbSr4Cu4 tetrahedra.},
doi = {10.17188/1262565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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