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Materials Data on RuF6 by Materials Project

RuF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two 13693-08-8 molecules. Ru6+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ru–F bond lengths are 1.86 Å. F1- is bonded in a single-bond geometry to one Ru6+ atom.

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Materials Data on KRuF6 by Materials Project

KRuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent RuF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent RuF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are six shorter (2.93 Å) and six longer (3.07 Å) K–F bond lengths. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Ru–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ru5+ atom.

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Materials Data on RbRuF6 by Materials Project

RbRuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent RuF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent RuF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.04 Å) and six longer (3.19 Å) Rb–F bond lengths. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All Ru–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Ru5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CsRuF6 by Materials Project

CsRuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent RuF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent RuF6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are six shorter (3.18 Å) and six longer (3.36 Å) Cs–F bond lengths. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All Ru–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Ru5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Li2RuF6 by Materials Project

Li2RuF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent RuF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one RuF6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of Li–F bond distances ranging from 2.04–2.10 Å. Ru4+ is bonded to six F1- atoms to form RuF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There is two shorter (1.92 Å) and four longer (1.98 Å) Ru–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ru4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ru4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cs2KRuF6 by Materials Project

Cs2KRuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent RuF6 octahedra. All Cs–F bond lengths are 3.29 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent RuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.59 Å. Ru3+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Ru3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cs2NaRuF6 by Materials Project

Cs2NaRuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent RuF6 octahedra. All Cs–F bond lengths are 3.15 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent RuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.41 Å. Ru3+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Ru3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on LiRuF6 by Materials Project

LiRuF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent RuF6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Li–F bond lengths are 2.07 Å. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Ru–F bond lengths are 1.90 Å. F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Ru5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RuF3 by Materials Project

RuF3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ru3+ is bonded to six equivalent F1- atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ru–F bond lengths are 2.02 Å. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ru3+ atoms.

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Materials Data on RuF4 by Materials Project

RuF4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one RuF4 sheet oriented in the (1, 0, 0) direction. Ru4+ is bonded to six F1- atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There is two shorter (1.86 Å) and four longer (2.04 Å) Ru–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ru4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru4+ atom.

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