Title: Materials Data on BeSnAs2 by Materials Project

Abstract

BeSnAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Be–As bond lengths are 2.29 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent BeAs4 tetrahedra. All Sn–As bond lengths are 2.65 Å. As3- is bonded to two equivalent Be2+ and two equivalent Sn4+ atoms to form distorted corner-sharing AsBe2Sn2 tetrahedra.

Publication Date:
Other Number(s):
mp-1009084
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; As-Be-Sn; BeSnAs2; crystal structure
OSTI Identifier:
1325569
DOI:
https://doi.org/10.17188/1325569

Citation Formats

Materials Data on BeSnAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325569.
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Materials Data on BeSnAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1325569
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2020. "Materials Data on BeSnAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1325569. https://www.osti.gov/servlets/purl/1325569. Pub date:Wed Jul 22 20:00:00 EDT 2020
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@article{osti_1325569,
title = {Materials Data on BeSnAs2 by Materials Project},
abstractNote = {BeSnAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Be–As bond lengths are 2.29 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent BeAs4 tetrahedra. All Sn–As bond lengths are 2.65 Å. As3- is bonded to two equivalent Be2+ and two equivalent Sn4+ atoms to form distorted corner-sharing AsBe2Sn2 tetrahedra.},
doi = {10.17188/1325569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1325569
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