Materials Data on HfTlCuS3 by Materials Project

Kristin Persson
HfCuTlS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with two equivalent HfS6 octahedra, edges with two equivalent HfS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.58 Å) and two longer (2.59 Å) Hf–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4...
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