U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La6ZnSb15 by Materials Project
Abstract
La6ZnSb15 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.35–3.48 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.27–3.47 Å. In the third La3+ site, La3+ is bonded in a 10-coordinate geometry to ten Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.31–3.61 Å. Zn2+ is bonded in a 4-coordinate geometry to six Sb+1.33- atoms. There are a spread of Zn–Sb bond distances ranging from 2.66–3.33 Å. There are ten inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. There are a spread of Sb–Sb bond distances ranging from 3.08–3.12 Å. In the second Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. There are one shorter (3.05 Å) and one longer (3.09 Å) Sb–Sb bond lengths. In the third Sb+1.33- site,more »
- Publication Date:
- Other Number(s):
- mp-1223161
- 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; La-Sb-Zn; La6ZnSb15; crystal structure
- OSTI Identifier:
- 1710774
- DOI:
- https://doi.org/10.17188/1710774
Citation Formats
Materials Data on La6ZnSb15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710774.
Materials Data on La6ZnSb15 by Materials Project. United States. doi:https://doi.org/10.17188/1710774
2020.
"Materials Data on La6ZnSb15 by Materials Project". United States. doi:https://doi.org/10.17188/1710774. https://www.osti.gov/servlets/purl/1710774. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710774,
title = {Materials Data on La6ZnSb15 by Materials Project},
abstractNote = {La6ZnSb15 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.35–3.48 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.27–3.47 Å. In the third La3+ site, La3+ is bonded in a 10-coordinate geometry to ten Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.31–3.61 Å. Zn2+ is bonded in a 4-coordinate geometry to six Sb+1.33- atoms. There are a spread of Zn–Sb bond distances ranging from 2.66–3.33 Å. There are ten inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. There are a spread of Sb–Sb bond distances ranging from 3.08–3.12 Å. In the second Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. There are one shorter (3.05 Å) and one longer (3.09 Å) Sb–Sb bond lengths. In the third Sb+1.33- site, Sb+1.33- is bonded in a 9-coordinate geometry to two equivalent La3+, two equivalent Zn2+, and five Sb+1.33- atoms. There are a spread of Sb–Sb bond distances ranging from 2.99–3.25 Å. In the fourth Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to two equivalent La3+ and five Sb+1.33- atoms. There are two shorter (3.09 Å) and two longer (3.14 Å) Sb–Sb bond lengths. In the fifth Sb+1.33- site, Sb+1.33- is bonded to six La3+ atoms to form distorted face-sharing SbLa6 pentagonal pyramids. In the sixth Sb+1.33- site, Sb+1.33- is bonded in a 1-coordinate geometry to three La3+, one Zn2+, and four Sb+1.33- atoms. In the seventh Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to three La3+ and four Sb+1.33- atoms. In the eighth Sb+1.33- site, Sb+1.33- is bonded in a 2-coordinate geometry to four equivalent La3+, two equivalent Zn2+, and two equivalent Sb+1.33- atoms. There are one shorter (3.08 Å) and one longer (3.42 Å) Sb–Sb bond lengths. In the ninth Sb+1.33- site, Sb+1.33- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Sb+1.33- atoms. There are one shorter (3.00 Å) and one longer (3.26 Å) Sb–Sb bond lengths. In the tenth Sb+1.33- site, Sb+1.33- is bonded in a 4-coordinate geometry to four La3+ and four Sb+1.33- atoms.},
doi = {10.17188/1710774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}