U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti2SbP by Materials Project
Abstract
Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, corner, and face-sharing TiSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Ti–Sb bond lengths are 2.83 Å. All Ti–P bond lengths are 2.45 Å. Sb3- is bonded to six equivalent Ti3+ atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent PTi6 octahedra, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P3- is bonded to six equivalent Ti3+ atoms to form PTi6 octahedra that share corners with six equivalent SbTi6 pentagonal pyramids, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5244
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ti2SbP; P-Sb-Ti
- OSTI Identifier:
- 1263160
- DOI:
- https://doi.org/10.17188/1263160
Citation Formats
The Materials Project. Materials Data on Ti2SbP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263160.
The Materials Project. Materials Data on Ti2SbP by Materials Project. United States. doi:https://doi.org/10.17188/1263160
The Materials Project. 2020.
"Materials Data on Ti2SbP by Materials Project". United States. doi:https://doi.org/10.17188/1263160. https://www.osti.gov/servlets/purl/1263160. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263160,
title = {Materials Data on Ti2SbP by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, corner, and face-sharing TiSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Ti–Sb bond lengths are 2.83 Å. All Ti–P bond lengths are 2.45 Å. Sb3- is bonded to six equivalent Ti3+ atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent PTi6 octahedra, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P3- is bonded to six equivalent Ti3+ atoms to form PTi6 octahedra that share corners with six equivalent SbTi6 pentagonal pyramids, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids.},
doi = {10.17188/1263160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}