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Title: Materials Data on Ca3SbI3 by Materials Project

Abstract

Ca3SbI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent Sb3- and four equivalent I1- atoms to form a mixture of edge and corner-sharing CaSb2I4 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Both Ca–Sb bond lengths are 3.10 Å. There are two shorter (3.24 Å) and two longer (3.33 Å) Ca–I bond lengths. Sb3- is bonded to six equivalent Ca2+ atoms to form edge-sharing SbCa6 octahedra. I1- is bonded in a rectangular see-saw-like geometry to four equivalent Ca2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1214080
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; Ca3SbI3; Ca-I-Sb
OSTI Identifier:
1748329
DOI:
https://doi.org/10.17188/1748329

Citation Formats

The Materials Project. Materials Data on Ca3SbI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748329.
The Materials Project. Materials Data on Ca3SbI3 by Materials Project. United States. doi:https://doi.org/10.17188/1748329
The Materials Project. 2020. "Materials Data on Ca3SbI3 by Materials Project". United States. doi:https://doi.org/10.17188/1748329. https://www.osti.gov/servlets/purl/1748329. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1748329,
title = {Materials Data on Ca3SbI3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3SbI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent Sb3- and four equivalent I1- atoms to form a mixture of edge and corner-sharing CaSb2I4 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Both Ca–Sb bond lengths are 3.10 Å. There are two shorter (3.24 Å) and two longer (3.33 Å) Ca–I bond lengths. Sb3- is bonded to six equivalent Ca2+ atoms to form edge-sharing SbCa6 octahedra. I1- is bonded in a rectangular see-saw-like geometry to four equivalent Ca2+ atoms.},
doi = {10.17188/1748329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}