@article{da535fb54ec649c3b89fca947beb3b49,
title = "Semiconducting Ba3Sn3Sb4 and Metallic Ba7-xSn11Sb15-y (x = 0.4, y = 0.6) Zintl Phases",
abstract = "We report the discovery of two ternary Zintl phases Ba3Sn3Sb4 and Ba7-xSn11Sb15-y (x = 0.4, y = 0.6). Ba3Sn3Sb4 adopts the monoclinic space group P21/c with a = 14.669(3) {\AA}, b = 6.9649(14) {\AA}, c = 13.629(3) {\AA}, and β = 104.98(3)°. It features a unique corrugated two-dimensional (2D) structure consisting of [Sn3Sb4]6- layers extending along the ab-plane with Ba2+ atoms sandwiched between them. The nonstoichiometric Ba6.6Sn11Sb14.4 has a complex one-dimensional (1D) structure adopting the orthorhombic space group Pnma, with unit cell parameters a = 37.964(8) {\AA}, b = 4.4090(9) {\AA}, and c = 24.682(5) {\AA}. It consists of large double Sn-Sb ribbons separated by Ba2+ atoms. Ba3Sn3Sb4 is an n-type semiconductor which has a narrow energy gap of ∼0.18 eV and a room temperature carrier concentration of ∼4.2 × 1018 cm-3. Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.",
author = "Haijie Chen and Awadhesh Narayan and Stoumpos, {Constantinos C.} and Jing Zhao and Fei Han and Chung, {Duck Young} and Wagner, {Lucas K.} and Kwok, {Wai Kwong} and Kanatzidis, {Mercouri G.}",
note = "Funding Information: This work was supported primarily by the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DEAC0298CH1088. Research at Argonne was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Computational resources were provided by the University of Illinois Campus Cluster. This work made use of the EPIC, Keck-II, and/or SPID facility(ies) of Northwestern University{\textquoteright}s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205), the MRSEC program (NSF DMR-1121262) at the Materials Research Center, the International Institute for Nanotechnology (IIN), and the Keck Foundation; and the State of Illinois, through the IIN. Publisher Copyright: {\textcopyright} 2017 American Chemical Society.",
year = "2017",
month = nov,
day = "20",
doi = "10.1021/acs.inorgchem.7b02352",
language = "English (US)",
volume = "56",
pages = "14251--14259",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "22",
}