U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho2(CuAg)5 by Materials Project
Abstract
Ho2(AgCu)5 is Frank-Kasper $$\mu$$ Phase-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to six Ag and ten Cu atoms. There are four shorter (3.02 Å) and two longer (3.04 Å) Ho–Ag bond lengths. There are a spread of Ho–Cu bond distances ranging from 3.06–3.33 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to nine Ag and seven Cu atoms. There are a spread of Ho–Ag bond distances ranging from 3.08–3.16 Å. There are a spread of Ho–Cu bond distances ranging from 3.09–3.36 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to three Ho, three Ag, and six Cu atoms to form a mixture of distorted corner, edge, and face-sharing AgHo3Cu6Ag3 cuboctahedra. There are one shorter (2.73 Å) and two longer (2.78 Å) Ag–Ag bond lengths. There are a spread of Ag–Cu bond distances ranging from 2.61–3.19 Å. In the second Ag site, Ag is bonded to three Ho, three Ag, and six Cu atoms to form a mixture of distorted corner, edge, and face-sharing AgHo3Cu6Ag3 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.75–2.81 Å. There are a spread of Ag–Cu bond distances ranging from 2.59–3.14 Å. In the third Ag site, Ag is bonded to three equivalent Ho, four Ag, and five Cu atoms to form distorted AgHo3Cu5Ag4 cuboctahedra that share corners with eight AgHo3Cu6Ag3 cuboctahedra, edges with six equivalent AgHo3Cu5Ag4 cuboctahedra, and faces with twelve AgHo3Cu6Ag3 cuboctahedra. There are a spread of Ag–Cu bond distances ranging from 2.62–3.20 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ho, four Ag, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–3.21 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three Ho, five Ag, and four Cu atoms. There are one shorter (2.99 Å) and two longer (3.26 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three Ho, five Ag, and four Cu atoms. There are one shorter (3.16 Å) and two longer (3.18 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded in a 1-coordinate geometry to four Ho, nine Ag, and three Cu atoms. In the fifth Cu site, Cu is bonded in a 2-coordinate geometry to four Ho, six Ag, and six Cu atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224277
- 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; Ho2(CuAg)5; Ag-Cu-Ho
- OSTI Identifier:
- 1709926
- DOI:
- https://doi.org/10.17188/1709926
Citation Formats
The Materials Project. Materials Data on Ho2(CuAg)5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1709926.
The Materials Project. Materials Data on Ho2(CuAg)5 by Materials Project. United States. doi:https://doi.org/10.17188/1709926
The Materials Project. 2019.
"Materials Data on Ho2(CuAg)5 by Materials Project". United States. doi:https://doi.org/10.17188/1709926. https://www.osti.gov/servlets/purl/1709926. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1709926,
title = {Materials Data on Ho2(CuAg)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2(AgCu)5 is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to six Ag and ten Cu atoms. There are four shorter (3.02 Å) and two longer (3.04 Å) Ho–Ag bond lengths. There are a spread of Ho–Cu bond distances ranging from 3.06–3.33 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to nine Ag and seven Cu atoms. There are a spread of Ho–Ag bond distances ranging from 3.08–3.16 Å. There are a spread of Ho–Cu bond distances ranging from 3.09–3.36 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to three Ho, three Ag, and six Cu atoms to form a mixture of distorted corner, edge, and face-sharing AgHo3Cu6Ag3 cuboctahedra. There are one shorter (2.73 Å) and two longer (2.78 Å) Ag–Ag bond lengths. There are a spread of Ag–Cu bond distances ranging from 2.61–3.19 Å. In the second Ag site, Ag is bonded to three Ho, three Ag, and six Cu atoms to form a mixture of distorted corner, edge, and face-sharing AgHo3Cu6Ag3 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.75–2.81 Å. There are a spread of Ag–Cu bond distances ranging from 2.59–3.14 Å. In the third Ag site, Ag is bonded to three equivalent Ho, four Ag, and five Cu atoms to form distorted AgHo3Cu5Ag4 cuboctahedra that share corners with eight AgHo3Cu6Ag3 cuboctahedra, edges with six equivalent AgHo3Cu5Ag4 cuboctahedra, and faces with twelve AgHo3Cu6Ag3 cuboctahedra. There are a spread of Ag–Cu bond distances ranging from 2.62–3.20 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ho, four Ag, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–3.21 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three Ho, five Ag, and four Cu atoms. There are one shorter (2.99 Å) and two longer (3.26 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three Ho, five Ag, and four Cu atoms. There are one shorter (3.16 Å) and two longer (3.18 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded in a 1-coordinate geometry to four Ho, nine Ag, and three Cu atoms. In the fifth Cu site, Cu is bonded in a 2-coordinate geometry to four Ho, six Ag, and six Cu atoms.},
doi = {10.17188/1709926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 13 00:00:00 EST 2019},
month = {Sun Jan 13 00:00:00 EST 2019}
}