U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoAgS2 by Materials Project
Abstract
HoAgS2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.76 Å. In the second Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. In the third Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. In the fourth Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18262
- 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; HoAgS2; Ag-Ho-S
- OSTI Identifier:
- 1193022
- DOI:
- https://doi.org/10.17188/1193022
Citation Formats
The Materials Project. Materials Data on HoAgS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193022.
The Materials Project. Materials Data on HoAgS2 by Materials Project. United States. doi:https://doi.org/10.17188/1193022
The Materials Project. 2020.
"Materials Data on HoAgS2 by Materials Project". United States. doi:https://doi.org/10.17188/1193022. https://www.osti.gov/servlets/purl/1193022. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1193022,
title = {Materials Data on HoAgS2 by Materials Project},
author = {The Materials Project},
abstractNote = {HoAgS2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.76 Å. In the second Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. In the third Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. In the fourth Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Ho–S bond distances ranging from 2.73–2.77 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.37 Å. In the second Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.37 Å. In the third Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.42 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.41 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and three Ag1+ atoms. In the second S2- site, S2- is bonded to three Ho3+ and two equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SHo3Ag2 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and three Ag1+ atoms. In the fourth S2- site, S2- is bonded to three Ho3+ and two Ag1+ atoms to form a mixture of distorted edge and corner-sharing SHo3Ag2 square pyramids. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and three Ag1+ atoms. In the sixth S2- site, S2- is bonded to three Ho3+ and two Ag1+ atoms to form a mixture of distorted edge and corner-sharing SHo3Ag2 square pyramids. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and three Ag1+ atoms. In the eighth S2- site, S2- is bonded to three Ho3+ and two equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SHo3Ag2 square pyramids.},
doi = {10.17188/1193022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}