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Materials Data on LaCN2F by Materials Project

LaCN2F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent F1- atoms. There are four shorter (2.61 Å) and two longer (2.70 Å) La–N bond lengths. There are two shorter (2.60 Å) and one longer (2.66 Å) La–F bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.

36 MATERIALS SCIENCE↗