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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2BeO2 by Materials Project

K2BeO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.91 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.14 Å. Be2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.50–1.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one Be2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Be2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4Be3O5 by Materials Project

K4Be3O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.02 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.18 Å. There are three inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.53 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.53 Å) and two longer (1.56 Å) Be–O bond length. In the third Be2+ site, Be2+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.68 Å) and two longer (1.70 Å) Be–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to four K1+ and two Be2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two Be2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Be2O3 by Materials Project

K2Be2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.27 Å. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.49 Å) and two longer (1.58 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Be2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Be2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KBeO3 by Materials Project

KBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All K–O bond lengths are 2.67 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.89 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Be atoms.

36 MATERIALS SCIENCE↗