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Title: Materials Data on Ca2Sn by Materials Project

Abstract

Ca2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. There are three shorter (3.16 Å) and one longer (3.26 Å) Ca–Sn bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.35–3.69 Å. Sn is bonded in a 9-coordinate geometry to nine Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-22735
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; Ca2Sn; Ca-Sn
OSTI Identifier:
1198936
DOI:
https://doi.org/10.17188/1198936

Citation Formats

The Materials Project. Materials Data on Ca2Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198936.
The Materials Project. Materials Data on Ca2Sn by Materials Project. United States. doi:https://doi.org/10.17188/1198936
The Materials Project. 2020. "Materials Data on Ca2Sn by Materials Project". United States. doi:https://doi.org/10.17188/1198936. https://www.osti.gov/servlets/purl/1198936. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1198936,
title = {Materials Data on Ca2Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. There are three shorter (3.16 Å) and one longer (3.26 Å) Ca–Sn bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.35–3.69 Å. Sn is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1198936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}