U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm3V by Materials Project
Abstract
Tm3V is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent V atoms. All Tm–Tm bond lengths are 3.25 Å. All Tm–V bond lengths are 3.25 Å. In the second Tm site, Tm is bonded to eight equivalent Tm and four equivalent V atoms to form TmTm8V4 cuboctahedra that share corners with four equivalent TmTm8V4 cuboctahedra, corners with eight equivalent VTm12 cuboctahedra, edges with eight equivalent TmTm8V4 cuboctahedra, faces with four equivalent TmTm8V4 cuboctahedra, and faces with six equivalent VTm12 cuboctahedra. All Tm–V bond lengths are 3.57 Å. V is bonded to twelve Tm atoms to form distorted VTm12 cuboctahedra that share corners with four equivalent VTm12 cuboctahedra, corners with eight equivalent TmTm8V4 cuboctahedra, edges with eight equivalent VTm12 cuboctahedra, faces with four equivalent VTm12 cuboctahedra, and faces with six equivalent TmTm8V4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-971833
- 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; Tm3V; Tm-V
- OSTI Identifier:
- 1313645
- DOI:
- https://doi.org/10.17188/1313645
Citation Formats
The Materials Project. Materials Data on Tm3V by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313645.
The Materials Project. Materials Data on Tm3V by Materials Project. United States. doi:https://doi.org/10.17188/1313645
The Materials Project. 2020.
"Materials Data on Tm3V by Materials Project". United States. doi:https://doi.org/10.17188/1313645. https://www.osti.gov/servlets/purl/1313645. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313645,
title = {Materials Data on Tm3V by Materials Project},
author = {The Materials Project},
abstractNote = {Tm3V is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent V atoms. All Tm–Tm bond lengths are 3.25 Å. All Tm–V bond lengths are 3.25 Å. In the second Tm site, Tm is bonded to eight equivalent Tm and four equivalent V atoms to form TmTm8V4 cuboctahedra that share corners with four equivalent TmTm8V4 cuboctahedra, corners with eight equivalent VTm12 cuboctahedra, edges with eight equivalent TmTm8V4 cuboctahedra, faces with four equivalent TmTm8V4 cuboctahedra, and faces with six equivalent VTm12 cuboctahedra. All Tm–V bond lengths are 3.57 Å. V is bonded to twelve Tm atoms to form distorted VTm12 cuboctahedra that share corners with four equivalent VTm12 cuboctahedra, corners with eight equivalent TmTm8V4 cuboctahedra, edges with eight equivalent VTm12 cuboctahedra, faces with four equivalent VTm12 cuboctahedra, and faces with six equivalent TmTm8V4 cuboctahedra.},
doi = {10.17188/1313645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}