Materials Data on PaTe3 by Materials Project
PaTe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent Te+1.67- atoms to form PaTe12 cuboctahedra that share corners with six equivalent PaTe12 cuboctahedra, corners with twelve equivalent TePa4Te8 cuboctahedra, edges with eighteen equivalent TePa4Te8 cuboctahedra, faces with eight equivalent PaTe12 cuboctahedra, and faces with twelve equivalent TePa4Te8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.37 Å) Pa–Te bond lengths. Te+1.67- is bonded to four equivalent Pa5+ and eight equivalent Te+1.67- atoms to form distorted TePa4Te8 cuboctahedra that share corners with four equivalent PaTe12 cuboctahedra, corners with fourteen equivalent TePa4Te8 cuboctahedra, edges with six equivalent PaTe12 cuboctahedra, edges with twelve equivalent TePa4Te8 cuboctahedra, faces with four equivalent PaTe12 cuboctahedra, and faces with sixteen equivalent TePa4Te8 cuboctahedra. There are a spread of Te–Te bond distances ranging from 3.17–3.53 Å.
- 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:
- 1309681
- Report Number(s):
- mp-862866
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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