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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbBiF6 by Materials Project

RbBiF6 crystallizes in the trigonal R-3 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 BiF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are six shorter (3.05 Å) and six longer (3.29 Å) Rb–F bond lengths. Bi5+ is bonded to six equivalent F1- atoms to form BiF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All Bi–F bond lengths are 2.05 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Bi5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBiF3 by Materials Project

RbBiF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.09 Å. There are two inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.23–2.51 Å. In the second Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.22–2.59 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Rb1+ and two Bi2+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Rb1+ and two Bi2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom. In the fifth F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBi3F10 by Materials Project

RbBi3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.89 Å. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.31 Å) and four longer (2.49 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FRbBi3 tetrahedra.

36 MATERIALS SCIENCE↗