U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho3Co2Si7 by Materials Project
Abstract
Ho3Co2Si7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.09 Å. In the second Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 3.00–3.08 Å. In the third Ho3+ site, Ho3+ is bonded to twelve Si+1.71- atoms to form a mixture of face and corner-sharing HoSi12 cuboctahedra. There are a spread of Ho–Si bond distances ranging from 2.89–2.97 Å. There are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are two shorter (2.24 Å) and three longer (2.25 Å) Co–Si bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are a spread of Co–Si bond distances ranging from 2.25–2.27 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 12-coordinate geometry to four Ho3+, two equivalent Co+1.50+, and two equivalent Si+1.71-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212314
- 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; Ho3Co2Si7; Co-Ho-Si
- OSTI Identifier:
- 1721973
- DOI:
- https://doi.org/10.17188/1721973
Citation Formats
The Materials Project. Materials Data on Ho3Co2Si7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721973.
The Materials Project. Materials Data on Ho3Co2Si7 by Materials Project. United States. doi:https://doi.org/10.17188/1721973
The Materials Project. 2020.
"Materials Data on Ho3Co2Si7 by Materials Project". United States. doi:https://doi.org/10.17188/1721973. https://www.osti.gov/servlets/purl/1721973. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1721973,
title = {Materials Data on Ho3Co2Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3Co2Si7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.09 Å. In the second Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 3.00–3.08 Å. In the third Ho3+ site, Ho3+ is bonded to twelve Si+1.71- atoms to form a mixture of face and corner-sharing HoSi12 cuboctahedra. There are a spread of Ho–Si bond distances ranging from 2.89–2.97 Å. There are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are two shorter (2.24 Å) and three longer (2.25 Å) Co–Si bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are a spread of Co–Si bond distances ranging from 2.25–2.27 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 12-coordinate geometry to four Ho3+, two equivalent Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.62 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Ho3+, one Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 12-coordinate geometry to four Ho3+, two equivalent Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.61 Å. In the fourth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Ho3+, one Co+1.50+, and two equivalent Si+1.71- atoms. In the fifth Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to four Ho3+ and two equivalent Co+1.50+ atoms. In the sixth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four equivalent Ho3+ and four Si+1.71- atoms. In the seventh Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to four Ho3+ and two equivalent Co+1.50+ atoms.},
doi = {10.17188/1721973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}