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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K3Rh by Materials Project

K3Rh crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two K3Rh sheets oriented in the (1, 0, 0) direction. there are two inequivalent K sites. In the first K site, K is bonded in a linear geometry to two equivalent Rh atoms. Both K–Rh bond lengths are 3.10 Å. In the second K site, K is bonded in a water-like geometry to two equivalent Rh atoms. Both K–Rh bond lengths are 3.20 Å. Rh is bonded to six K atoms to form a mixture of edge and corner-sharing RhK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh by Materials Project

K3Rh crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 2-coordinate geometry to four equivalent Rh atoms. There are two shorter (3.45 Å) and two longer (3.95 Å) K–Rh bond lengths. Rh is bonded to twelve equivalent K atoms to form a mixture of distorted corner and face-sharing RhK12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh by Materials Project

K3Rh crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a linear geometry to two equivalent Rh atoms. Both K–Rh bond lengths are 3.14 Å. In the second K site, K is bonded in a distorted trigonal planar geometry to three equivalent Rh atoms. There are two shorter (3.41 Å) and one longer (3.44 Å) K–Rh bond lengths. Rh is bonded in a body-centered cubic geometry to eight K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh by Materials Project

K3Rh is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Rh atoms to form distorted KK4Rh4 tetrahedra that share corners with eight equivalent KK8Rh4 cuboctahedra, corners with eight equivalent KK4Rh4 tetrahedra, edges with four equivalent KK8Rh4 cuboctahedra, edges with twelve equivalent KK4Rh4 tetrahedra, and faces with six equivalent KK4Rh4 tetrahedra. All K–K bond lengths are 3.57 Å. All K–Rh bond lengths are 3.57 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Rh atoms to form KK8Rh4 cuboctahedra that share corners with four equivalent KK8Rh4 cuboctahedra, corners with sixteen equivalent KK4Rh4 tetrahedra, edges with eight equivalent KK8Rh4 cuboctahedra, edges with eight equivalent KK4Rh4 tetrahedra, and faces with four equivalent KK8Rh4 cuboctahedra. All K–Rh bond lengths are 4.04 Å. Rh is bonded in a distorted body-centered cubic geometry to twelve K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh by Materials Project

K3Rh crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a linear geometry to two equivalent Rh atoms. Both K–Rh bond lengths are 3.16 Å. In the second K site, K is bonded in a distorted trigonal non-coplanar geometry to three equivalent Rh atoms. There are one shorter (3.34 Å) and two longer (3.39 Å) K–Rh bond lengths. Rh is bonded in a body-centered cubic geometry to eight K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh(NO2)6 by Materials Project

K(K(NO2)3)2Rh crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four potassium molecules, four rhodium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.68 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.12 Å. O2- is bonded to two equivalent K1+, two equivalent N3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OK2N2O square pyramids. The O–O bond length is 1.34 Å.

36 MATERIALS SCIENCE↗