Materials Data on K3Nd by Materials Project
K3Nd 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 Nd atoms to form distorted KK8Nd4 cuboctahedra that share corners with four equivalent NdK12 cuboctahedra, corners with fourteen equivalent KK8Nd4 cuboctahedra, edges with six equivalent NdK12 cuboctahedra, edges with twelve equivalent KK8Nd4 cuboctahedra, faces with four equivalent NdK12 cuboctahedra, and faces with sixteen equivalent KK8Nd4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.22–4.44 Å. There are two shorter (4.33 Å) and two longer (4.34 Å) K–Nd bond lengths. Nd is bonded to twelve equivalent K atoms to form NdK12 cuboctahedra that share corners with six equivalent NdK12 cuboctahedra, corners with twelve equivalent KK8Nd4 cuboctahedra, edges with eighteen equivalent KK8Nd4 cuboctahedra, faces with eight equivalent NdK12 cuboctahedra, and faces with twelve equivalent KK8Nd4 cuboctahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1314894
- Report Number(s):
- mp-975838
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba3Ce by Materials Project
Materials Data on Sr3Nd by Materials Project