Title: Materials Data on Na10CaSn12 by Materials Project

Abstract

Na10CaSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.24 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.46 Å) and six longer (3.55 Å) Na–Sn bond lengths. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Ca–Sn bond lengths are 3.48 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Ca, and three equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (3.01 Å) Sn–Sn bond lengths.

Publication Date:
Other Number(s):
mp-30252
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-Na-Sn; crystal structure; Na10CaSn12
OSTI Identifier:
1204661
DOI:
https://doi.org/10.17188/1204661

Citation Formats

Materials Data on Na10CaSn12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204661.
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Materials Data on Na10CaSn12 by Materials Project. United States. doi:https://doi.org/10.17188/1204661
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2020. "Materials Data on Na10CaSn12 by Materials Project". United States. doi:https://doi.org/10.17188/1204661. https://www.osti.gov/servlets/purl/1204661. Pub date:Sun Jul 19 20:00:00 EDT 2020
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@article{osti_1204661,
title = {Materials Data on Na10CaSn12 by Materials Project},
abstractNote = {Na10CaSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.24 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.46 Å) and six longer (3.55 Å) Na–Sn bond lengths. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Ca–Sn bond lengths are 3.48 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Ca, and three equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (3.01 Å) Sn–Sn bond lengths.},
doi = {10.17188/1204661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1204661
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