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Title: Materials Data on CsSmCl3 by Materials Project

Abstract

CsSmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SmCl6 octahedra. All Cs–Cl bond lengths are 3.89 Å. Sm2+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent SmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.75 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sm2+ atoms.

Publication Date:
Other Number(s):
mp-567939
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; CsSmCl3; Cl-Cs-Sm
OSTI Identifier:
1274138
DOI:
https://doi.org/10.17188/1274138

Citation Formats

The Materials Project. Materials Data on CsSmCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274138.
The Materials Project. Materials Data on CsSmCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1274138
The Materials Project. 2020. "Materials Data on CsSmCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1274138. https://www.osti.gov/servlets/purl/1274138. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274138,
title = {Materials Data on CsSmCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SmCl6 octahedra. All Cs–Cl bond lengths are 3.89 Å. Sm2+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent SmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.75 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sm2+ atoms.},
doi = {10.17188/1274138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}