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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsK2 by Materials Project

K2Cs is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of four cesium molecules and one K framework. In the K framework, there are two inequivalent K sites. In the first K site, K is bonded in a distorted hexagonal planar geometry to six equivalent K atoms. All K–K bond lengths are 4.55 Å. In the second K site, K is bonded in a distorted hexagonal planar geometry to six K atoms. There are two shorter (4.50 Å) and two longer (4.57 Å) K–K bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs6K7 by Materials Project

Cs6K7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 4-coordinate geometry to four Cs atoms. There are one shorter (5.17 Å) and three longer (5.50 Å) Cs–Cs bond lengths. In the second Cs site, Cs is bonded in a 8-coordinate geometry to two Cs and six equivalent K atoms. The Cs–Cs bond length is 4.76 Å. All Cs–K bond lengths are 5.04 Å. In the third Cs site, Cs is bonded in a 3-coordinate geometry to three equivalent Cs and six equivalent K atoms. All Cs–Cs bond lengths are 5.28 Å. All Cs–K bond lengths are 5.22 Å. In the fourth Cs site, Cs is bonded in a 3-coordinate geometry to three equivalent Cs and six equivalent K atoms. All Cs–K bond lengths are 5.22 Å. There are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to four Cs and five K atoms. There are a spread of K–K bond distances ranging from 4.56–4.64 Å. In the second K site, K is bonded in a distorted hexagonal planar geometry to six equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsK3 by Materials Project

CsK3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to eight equivalent K atoms. All Cs–K bond lengths are 4.77 Å. There are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to four equivalent Cs and four equivalent K atoms. All K–K bond lengths are 4.77 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsK3 by Materials Project

CsK3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve K atoms to form a mixture of edge, corner, and face-sharing CsK12 cuboctahedra. There are four shorter (4.78 Å) and eight longer (4.96 Å) Cs–K bond lengths. There are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to four equivalent Cs and four equivalent K atoms. All K–K bond lengths are 4.78 Å. In the second K site, K is bonded in a square co-planar geometry to four equivalent Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsK by Materials Project

KCs crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent K atoms. All Cs–Cs bond lengths are 5.04 Å. All Cs–K bond lengths are 4.85 Å. K is bonded in a distorted square co-planar geometry to four equivalent Cs atoms.

36 MATERIALS SCIENCE↗