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Materials Data on AuSe by Materials Project

AuSe is Modderite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing AuSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Au–Se bond lengths are 2.80 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Au2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AuSe by Materials Project

AuSe crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two AuSe sheets oriented in the (1, 0, 0) direction. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Au–Se bond lengths are 2.53 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.44 Å. Se2- is bonded in a 3-coordinate geometry to three Au2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AuSe by Materials Project

AuSe crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two AuSe ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Au–Se bond lengths are 2.54 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.47 Å. Se2- is bonded in a 3-coordinate geometry to three Au2+ atoms.

36 MATERIALS SCIENCE↗