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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2HgRhF6 by Materials Project

Rb2RhHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent RhF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.20 Å. Rh3+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–F bond lengths are 2.05 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent RhF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.46 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Rh3+, and one Hg1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2AgRhF6 by Materials Project

K2RhAgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RhF6 octahedra, and faces with four equivalent AgF6 octahedra. All K–F bond lengths are 3.10 Å. Rh3+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–F bond lengths are 2.03 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent RhF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.35 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Rh3+, and one Ag1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiRhF6 by Materials Project

LiRhF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li is bonded to six equivalent F atoms to form LiF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Li–F bond lengths are 2.06 Å. Rh is bonded to six equivalent F atoms to form RhF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Rh–F bond lengths are 1.91 Å. F is bonded in a bent 150 degrees geometry to one Li and one Rh atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnRhF6 by Materials Project

RhZnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent ZnF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Rh–F bond lengths are 1.95 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Zn–F bond lengths are 2.05 Å. F1- is bonded in a bent 150 degrees geometry to one Rh4+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdRhF6 by Materials Project

RhCdF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent CdF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Rh–F bond lengths are 1.95 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Cd–F bond lengths are 2.27 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Rh4+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgRhF6 by Materials Project

RhHgF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Rh–F bond lengths are 1.95 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Hg–F bond lengths are 2.35 Å. F1- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhF3 by Materials Project

RhF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six F1- atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (1.98 Å) and three longer (2.02 Å) Rh–F bond lengths. In the second Rh3+ site, Rh3+ is bonded to six equivalent F1- atoms to form distorted corner-sharing RhF6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 38°. All Rh–F bond lengths are 2.06 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Rh3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rh3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhF5 by Materials Project

RhF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RhF5 clusters. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. In the second Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. There are ten inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Rh atom. In the second F site, F is bonded in a single-bond geometry to one Rh atom. In the third F site, F is bonded in a single-bond geometry to one Rh atom. In the fourth F site, F is bonded in a single-bond geometry to one Rh atom. In the fifth F site, F is bonded in a single-bond geometry to one Rh atom. In the sixth F site, F is bonded in a single-bond geometry to one Rh atom. In the seventh F site, F is bonded in a single-bond geometry to one Rh atom. In the eighth F site, F is bonded in a single-bond geometry to one Rh atom. In the ninth F site, F is bonded in a distorted bent 150 degrees geometry to two Rh atoms. In the tenth F site, F is bonded in a bent 120 degrees geometry to two Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgRhF6 by Materials Project

MgRhF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Mg–F bond lengths are 2.01 Å. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Rh–F bond lengths are 1.95 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Rh4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaRhF6 by Materials Project

CaRhF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Ca–F bond lengths are 2.29 Å. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Rh–F bond lengths are 1.95 Å. F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Rh4+ atom.

36 MATERIALS SCIENCE↗