U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La14Ag51 by Materials Project
Abstract
Ag51La14 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.20–3.43 Å. In the second La site, La is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.19–3.40 Å. In the third La site, La is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.23–3.69 Å. In the fourth La site, La is bonded in a 1-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.07–3.48 Å. In the fifth La site, La is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.21–3.45 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent La and eight Ag atoms. There are two shorter (2.79 Å) and six longermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223706
- 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; La14Ag51; Ag-La
- OSTI Identifier:
- 1655760
- DOI:
- https://doi.org/10.17188/1655760
Citation Formats
The Materials Project. Materials Data on La14Ag51 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1655760.
The Materials Project. Materials Data on La14Ag51 by Materials Project. United States. doi:https://doi.org/10.17188/1655760
The Materials Project. 2019.
"Materials Data on La14Ag51 by Materials Project". United States. doi:https://doi.org/10.17188/1655760. https://www.osti.gov/servlets/purl/1655760. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1655760,
title = {Materials Data on La14Ag51 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag51La14 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.20–3.43 Å. In the second La site, La is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.19–3.40 Å. In the third La site, La is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.23–3.69 Å. In the fourth La site, La is bonded in a 1-coordinate geometry to fourteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.07–3.48 Å. In the fifth La site, La is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of La–Ag bond distances ranging from 3.21–3.45 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent La and eight Ag atoms. There are two shorter (2.79 Å) and six longer (3.00 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent La and eight Ag atoms. There are two shorter (2.80 Å) and six longer (2.98 Å) Ag–Ag bond lengths. In the third Ag site, Ag is bonded in a 11-coordinate geometry to four La and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.30 Å. In the fourth Ag site, Ag is bonded in a 11-coordinate geometry to four La and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.88–3.27 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent La and seven Ag atoms. All Ag–Ag bond lengths are 2.92 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to four La and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.14 Å. In the seventh Ag site, Ag is bonded in a 12-coordinate geometry to four La and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.18 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to four La and seven Ag atoms. There are one shorter (2.91 Å) and one longer (2.96 Å) Ag–Ag bond lengths. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to four La and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.07 Å. In the tenth Ag site, Ag is bonded to four La and eight Ag atoms to form a mixture of face and edge-sharing AgLa4Ag8 cuboctahedra. There are one shorter (2.84 Å) and one longer (2.85 Å) Ag–Ag bond lengths. In the eleventh Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent La and seven Ag atoms. In the twelfth Ag site, Ag is bonded to four La and eight Ag atoms to form a mixture of face and edge-sharing AgLa4Ag8 cuboctahedra. In the thirteenth Ag site, Ag is bonded in a 1-coordinate geometry to four La and six Ag atoms. Both Ag–Ag bond lengths are 2.86 Å.},
doi = {10.17188/1655760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}