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Materials Data on Sr2RhF7 by Materials Project

Sr2RhF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.39–2.99 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.35–3.04 Å. Rh3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Rh–F bond distances ranging from 2.00–2.04 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one Rh3+ atom to form distorted corner-sharing FSr3Rh tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Sr2+ and one Rh3+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to three Sr2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Rh3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one Rh3+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Rh3+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Rh3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SrRhF6 by Materials Project

SrRhF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent RhF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are six shorter (2.72 Å) and six longer (2.80 Å) Sr–F bond lengths. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Rh–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Rh4+ atom.

36 MATERIALS SCIENCE↗