Materials Data on ScRu(NF)6 by Materials Project
ScRu(NF)6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent N+0.33- and six equivalent F1- atoms to form ScN6F6 cuboctahedra that share corners with six equivalent RuN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sc–N bond lengths are 2.47 Å. All Sc–F bond lengths are 2.26 Å. Ru5+ is bonded to six equivalent N+0.33- atoms to form RuN6 octahedra that share corners with six equivalent ScN6F6 cuboctahedra. All Ru–N bond lengths are 2.01 Å. N+0.33- is bonded in a 2-coordinate geometry to one Sc3+, one Ru5+, and one F1- atom. The N–F bond length is 1.47 Å. F1- is bonded in a 1-coordinate geometry to one Sc3+ and one N+0.33- atom.
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