U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNdTe2 by Materials Project
Abstract
KNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.56 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Nd–Te bond lengths are 3.20 Å. Te2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing TeK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-11740
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; K-Nd-Te; KNdTe2
- OSTI Identifier:
- 1188341
- DOI:
- https://doi.org/10.17188/1188341
Citation Formats
Materials Data on KNdTe2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1188341.
Materials Data on KNdTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1188341
2017.
"Materials Data on KNdTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1188341. https://www.osti.gov/servlets/purl/1188341. Pub date:Tue May 09 20:00:00 EDT 2017
@article{osti_1188341,
title = {Materials Data on KNdTe2 by Materials Project},
abstractNote = {KNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.56 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Nd–Te bond lengths are 3.20 Å. Te2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing TeK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1188341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}