Materials Data on Al5(BiSe4)3 by Materials Project
Abstract
Al5(BiSe4)3 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. there are six inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.45 Å) Al–Se bond lengths. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the third Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.43 Å) Al–Se bond lengths. In the fourth Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.46 Å) Al–Se bond lengths. In the fifth Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the sixth Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12088
- 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; Al5(BiSe4)3; Al-Bi-Se
- OSTI Identifier:
- 1318432
- DOI:
- https://doi.org/10.17188/1318432
Citation Formats
The Materials Project. Materials Data on Al5(BiSe4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318432.
The Materials Project. Materials Data on Al5(BiSe4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1318432
The Materials Project. 2020.
"Materials Data on Al5(BiSe4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1318432. https://www.osti.gov/servlets/purl/1318432. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1318432,
title = {Materials Data on Al5(BiSe4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al5(BiSe4)3 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. there are six inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.45 Å) Al–Se bond lengths. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the third Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.43 Å) Al–Se bond lengths. In the fourth Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.46 Å) Al–Se bond lengths. In the fifth Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the sixth Al3+ site, Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. All Bi–Se bond lengths are 2.98 Å. In the second Bi3+ site, Bi3+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.92 Å) and two longer (2.98 Å) Bi–Se bond lengths. In the third Bi3+ site, Bi3+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.94 Å) and two longer (2.98 Å) Bi–Se bond lengths. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi3+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi3+ atom. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to one Al3+ and one Bi3+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi3+ atom. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi3+ atom. In the sixth Se2- site, Se2- is bonded in a distorted water-like geometry to one Al3+ and one Bi3+ atom.},
doi = {10.17188/1318432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}