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Title: Materials Data on SrSbSe2F by Materials Project

Abstract

SrSbSe2F crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrSbSe2F sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sr–Se bond lengths are 3.21 Å. All Sr–F bond lengths are 2.52 Å. Sb3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing SbSe5 square pyramids. There are one shorter (2.56 Å) and four longer (2.94 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sb3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-556194
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; SrSbSe2F; F-Sb-Se-Sr
OSTI Identifier:
1269220
DOI:
https://doi.org/10.17188/1269220

Citation Formats

The Materials Project. Materials Data on SrSbSe2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269220.
The Materials Project. Materials Data on SrSbSe2F by Materials Project. United States. doi:https://doi.org/10.17188/1269220
The Materials Project. 2020. "Materials Data on SrSbSe2F by Materials Project". United States. doi:https://doi.org/10.17188/1269220. https://www.osti.gov/servlets/purl/1269220. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269220,
title = {Materials Data on SrSbSe2F by Materials Project},
author = {The Materials Project},
abstractNote = {SrSbSe2F crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrSbSe2F sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sr–Se bond lengths are 3.21 Å. All Sr–F bond lengths are 2.52 Å. Sb3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing SbSe5 square pyramids. There are one shorter (2.56 Å) and four longer (2.94 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sb3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.},
doi = {10.17188/1269220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}