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Materials Data on K3Ba by Materials Project

K3Ba is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Ba atoms. All K–K bond lengths are 4.54 Å. All K–Ba bond lengths are 4.54 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Ba is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

Materials Data on KBa3 by Materials Project

KBa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. All K–Ba bond lengths are 4.44 Å. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Ba atoms. All Ba–Ba bond lengths are 4.44 Å. In the second Ba site, Ba is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗