Materials Data on La4Cu5As8 by Materials Project
Abstract
La4Cu5As8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are four shorter (3.11 Å) and four longer (3.21 Å) La–As bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are four shorter (3.12 Å) and four longer (3.22 Å) La–As bond lengths. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are a spread of La–As bond distances ranging from 3.11–3.26 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are a spread of La–As bond distances ranging from 3.10–3.25 Å. There are two inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four As+2.25- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.53 Å) Cu–As bond lengths. In the second Cu+1.20+ site, Cu+1.20+ is bonded in a 5-coordinate geometry to five As+2.25- atoms. There are one shorter (2.45 Å) and fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223147
- 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; La4Cu5As8; As-Cu-La
- OSTI Identifier:
- 1689208
- DOI:
- https://doi.org/10.17188/1689208
Citation Formats
The Materials Project. Materials Data on La4Cu5As8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689208.
The Materials Project. Materials Data on La4Cu5As8 by Materials Project. United States. doi:https://doi.org/10.17188/1689208
The Materials Project. 2020.
"Materials Data on La4Cu5As8 by Materials Project". United States. doi:https://doi.org/10.17188/1689208. https://www.osti.gov/servlets/purl/1689208. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689208,
title = {Materials Data on La4Cu5As8 by Materials Project},
author = {The Materials Project},
abstractNote = {La4Cu5As8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are four shorter (3.11 Å) and four longer (3.21 Å) La–As bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are four shorter (3.12 Å) and four longer (3.22 Å) La–As bond lengths. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are a spread of La–As bond distances ranging from 3.11–3.26 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As+2.25- atoms. There are a spread of La–As bond distances ranging from 3.10–3.25 Å. There are two inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four As+2.25- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.53 Å) Cu–As bond lengths. In the second Cu+1.20+ site, Cu+1.20+ is bonded in a 5-coordinate geometry to five As+2.25- atoms. There are one shorter (2.45 Å) and four longer (2.54 Å) Cu–As bond lengths. There are five inequivalent As+2.25- sites. In the first As+2.25- site, As+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Cu+1.20+ atoms. In the second As+2.25- site, As+2.25- is bonded in a 9-coordinate geometry to four La3+ and five Cu+1.20+ atoms. In the third As+2.25- site, As+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Cu+1.20+ atoms. In the fourth As+2.25- site, As+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Cu+1.20+ atoms. In the fifth As+2.25- site, As+2.25- is bonded in a 1-coordinate geometry to four La3+, one Cu+1.20+, and two equivalent As+2.25- atoms. There are one shorter (2.73 Å) and one longer (2.76 Å) As–As bond lengths.},
doi = {10.17188/1689208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}