Title: Materials Data on Ca2Sb by Materials Project

Abstract

Ca2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. There are one shorter (3.18 Å) and four longer (3.45 Å) Ca–Sb bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Ca–Sb bond lengths are 3.30 Å. Sb is bonded in a 9-coordinate geometry to nine Ca atoms.

Publication Date:
Other Number(s):
mp-9925
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-Sb; Ca2Sb; crystal structure
OSTI Identifier:
1316988
DOI:
https://doi.org/10.17188/1316988

Citation Formats

Materials Data on Ca2Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316988.
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Materials Data on Ca2Sb by Materials Project. United States. doi:https://doi.org/10.17188/1316988
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2020. "Materials Data on Ca2Sb by Materials Project". United States. doi:https://doi.org/10.17188/1316988. https://www.osti.gov/servlets/purl/1316988. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1316988,
title = {Materials Data on Ca2Sb by Materials Project},
abstractNote = {Ca2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. There are one shorter (3.18 Å) and four longer (3.45 Å) Ca–Sb bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Ca–Sb bond lengths are 3.30 Å. Sb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1316988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1316988
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