Materials Data on K3Tb by Materials Project
K3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Tb atoms to form distorted KK8Tb4 cuboctahedra that share corners with four equivalent TbK12 cuboctahedra, corners with fourteen equivalent KK8Tb4 cuboctahedra, edges with six equivalent TbK12 cuboctahedra, edges with twelve equivalent KK8Tb4 cuboctahedra, faces with four equivalent TbK12 cuboctahedra, and faces with sixteen equivalent KK8Tb4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.20–4.44 Å. There are two shorter (4.30 Å) and two longer (4.32 Å) K–Tb bond lengths. Tb is bonded to twelve equivalent K atoms to form TbK12 cuboctahedra that share corners with six equivalent TbK12 cuboctahedra, corners with twelve equivalent KK8Tb4 cuboctahedra, edges with eighteen equivalent KK8Tb4 cuboctahedra, faces with eight equivalent TbK12 cuboctahedra, and faces with twelve equivalent KK8Tb4 cuboctahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1704415
- Report Number(s):
- mp-1185125
- Country of Publication:
- United States
- Language:
- English
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