Materials Data on YCuO2 by Materials Project

Kristin Persson
CuYO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing YO6 octahedra. All Y–O bond lengths are 2.30 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. O2- is bonded to three equivalent Y3+ and one Cu1+ atom to form a mixture of corner and edge-sharing OY3Cu tetrahedra.
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