skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr(SmSe2)2 by Materials Project

Abstract

Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Sm3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-38152
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(SmSe2)2; Se-Sm-Sr
OSTI Identifier:
1207476
DOI:
10.17188/1207476

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr(SmSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207476.
Persson, Kristin, & Project, Materials. Materials Data on Sr(SmSe2)2 by Materials Project. United States. doi:10.17188/1207476.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr(SmSe2)2 by Materials Project". United States. doi:10.17188/1207476. https://www.osti.gov/servlets/purl/1207476. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1207476,
title = {Materials Data on Sr(SmSe2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Sm3+ atoms.},
doi = {10.17188/1207476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: