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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaZn5 by Materials Project

BaZn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to eleven Zn atoms. There are a spread of Ba–Zn bond distances ranging from 3.43–3.96 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four equivalent Ba and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Zn atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 11-coordinate geometry to three equivalent Ba and eight Zn atoms. Both Zn–Zn bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaZn13 by Materials Project

BaZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All Ba–Zn bond lengths are 3.60 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ba and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.97 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaZn by Materials Project

BaZn1 is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ba–Zn bond lengths are 3.57 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2Zn by Materials Project

Ba2Zn crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ba2Zn sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 4-coordinate geometry to four equivalent Zn atoms. All Ba–Zn bond lengths are 3.54 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗