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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2PdF6 by Materials Project

Rb2PdF6 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, and faces with four equivalent PdF6 octahedra. All Rb–F bond lengths are 3.11 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share faces with eight equivalent RbF12 cuboctahedra. All Pd–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Pd4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3PdF5 by Materials Project

Rb3PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.27 Å) and eight longer (3.29 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.79–3.03 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 1.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to five Rb1+ and one Pd2+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbPd2F5 by Materials Project

RbPd2F5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.94–3.29 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six F1- atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pd–F bond lengths are 2.20 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 2.00 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Pd2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbPdF3 by Materials Project

RbPdF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent PdF6 octahedra. All Rb–F bond lengths are 3.07 Å. Pd2+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent PdF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–F bond lengths are 2.17 Å. F1- is bonded to four equivalent Rb1+ and two equivalent Pd2+ atoms to form a mixture of distorted corner, edge, and face-sharing FRb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗