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Materials Data on BaAg2SnSe4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274941· OSTI ID:1274941
BaAg2SnSe4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.48 Å) and four longer (3.50 Å) Ba–Se bond lengths. Ag1+ is bonded in a distorted see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.59 Å) and two longer (2.99 Å) Ag–Se bond lengths. Sn4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Sn–Se bond lengths are 2.58 Å. Se2- is bonded to two equivalent Ba2+, two equivalent Ag1+, and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SeBa2Ag2Sn trigonal bipyramids.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1274941
Report Number(s):
mp-569114
Country of Publication:
United States
Language:
English

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