Materials Data on YbPS4 by Materials Project

Kristin Persson
YbPS4 is Zircon-like structured and crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to eight S2- atoms to form distorted YbS8 hexagonal bipyramids that share edges with four equivalent PS4 tetrahedra. There are a spread of Yb–S bond distances ranging from 2.93–2.99 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight S2-...
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