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Results for “K-P-Zn”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K4ZnP2 by Materials Project

K4ZnP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing KP4 tetrahedra. There are one shorter (3.27 Å) and three longer (3.44 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.38 Å. Zn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Zn–P bond lengths are 2.23 Å. P3- is bonded in a distorted body-centered cubic geometry to seven K1+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KZnP by Materials Project

KZnP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent P3- atoms. All K–P bond lengths are 3.50 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.37 Å. P3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KZn4P3 by Materials Project

KZn4P3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent P3- atoms to form distorted KP6 octahedra that share corners with six equivalent ZnP4 tetrahedra and edges with six equivalent KP6 octahedra. All K–P bond lengths are 3.31 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with three equivalent KP6 octahedra, corners with nine equivalent ZnP4 tetrahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are one shorter (2.36 Å) and three longer (2.56 Å) Zn–P bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.38 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to three equivalent K1+ and four Zn2+ atoms. In the second P3- site, P3- is bonded in a distorted body-centered cubic geometry to six equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗