Materials Data on Gd2Mo2C3 by Materials Project
Gd2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to five C4- atoms to form GdC5 square pyramids that share corners with two equivalent GdC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent GdC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Gd–C bond distances ranging from 2.47–2.58 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent GdC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent GdC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Gd3+ and two equivalent Mo3+ atoms to form CGd4Mo2 octahedra that share corners with six equivalent CGd3Mo3 octahedra and edges with eight CGd4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to three equivalent Gd3+ and three equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CGd3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°.