U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoPS by Materials Project
Abstract
HoPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Ho–P bond lengths. There are a spread of Ho–S bond distances ranging from 2.76–2.88 Å. In the second Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.90 Å) and two longer (3.08 Å) Ho–P bond lengths. There are a spread of Ho–S bond distances ranging from 2.73–2.83 Å. P1- is bonded in a 6-coordinate geometry to four Ho3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ho3+ atoms. In the second S2- site, S2- is bonded to five Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo5 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-1190574
- 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; Ho-P-S; HoPS; crystal structure
- OSTI Identifier:
- 1689488
- DOI:
- https://doi.org/10.17188/1689488
Citation Formats
Materials Data on HoPS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689488.
Materials Data on HoPS by Materials Project. United States. doi:https://doi.org/10.17188/1689488
2020.
"Materials Data on HoPS by Materials Project". United States. doi:https://doi.org/10.17188/1689488. https://www.osti.gov/servlets/purl/1689488. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689488,
title = {Materials Data on HoPS by Materials Project},
abstractNote = {HoPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Ho–P bond lengths. There are a spread of Ho–S bond distances ranging from 2.76–2.88 Å. In the second Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.90 Å) and two longer (3.08 Å) Ho–P bond lengths. There are a spread of Ho–S bond distances ranging from 2.73–2.83 Å. P1- is bonded in a 6-coordinate geometry to four Ho3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ho3+ atoms. In the second S2- site, S2- is bonded to five Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo5 trigonal bipyramids.},
doi = {10.17188/1689488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}