Results for “K3W”

DOE OSTI2020

Materials Data on K3W by Materials Project

K3W is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m 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 W atoms to form a mixture of distorted corner, edge, and face-sharing KK4W4 tetrahedra. All K–K bond lengths are 3.91 Å. All K–W bond lengths are 3.91 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. W is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K3W by Materials Project

K3W 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 in a 4-coordinate geometry to four equivalent K and four equivalent W atoms. All K–K bond lengths are 3.99 Å. All K–W bond lengths are 3.99 Å. In the second K site, K is bonded to eight equivalent K and four equivalent W atoms to form distorted KK8W4 cuboctahedra that share corners with four equivalent KK8W4 cuboctahedra, corners with eight equivalent WK12 cuboctahedra, edges with eight equivalent KK8W4 cuboctahedra, faces with four equivalent KK8W4 cuboctahedra, and faces with six equivalent WK12 cuboctahedra. All K–W bond lengths are 4.18 Å. W is bonded to twelve K atoms to form WK12 cuboctahedra that share corners with four equivalent WK12 cuboctahedra, corners with eight equivalent KK8W4 cuboctahedra, edges with eight equivalent WK12 cuboctahedra, faces with four equivalent WK12 cuboctahedra, and faces with six equivalent KK8W4 cuboctahedra.

36 MATERIALS SCIENCE↗