Materials Data on YbPrS3 by Materials Project
YbPrS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.68 Å) and four longer (2.88 Å) Yb–S bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.79–3.33 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms. In the second S2- site, S2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SYb2Pr2 tetrahedra.
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