U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YPS by Materials Project
Abstract
YPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Y–P bond lengths. There are a spread of Y–S bond distances ranging from 2.77–2.91 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.91 Å) and two longer (3.10 Å) Y–P bond lengths. There are a spread of Y–S bond distances ranging from 2.76–2.85 Å. P1- is bonded in a distorted hexagonal planar geometry to four Y3+ 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 Y3+ atoms. In the second S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted corner and edge-sharing SY5 trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191026
- 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; YPS; P-S-Y
- OSTI Identifier:
- 1666654
- DOI:
- https://doi.org/10.17188/1666654
Citation Formats
The Materials Project. Materials Data on YPS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666654.
The Materials Project. Materials Data on YPS by Materials Project. United States. doi:https://doi.org/10.17188/1666654
The Materials Project. 2020.
"Materials Data on YPS by Materials Project". United States. doi:https://doi.org/10.17188/1666654. https://www.osti.gov/servlets/purl/1666654. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1666654,
title = {Materials Data on YPS by Materials Project},
author = {The Materials Project},
abstractNote = {YPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Y–P bond lengths. There are a spread of Y–S bond distances ranging from 2.77–2.91 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.91 Å) and two longer (3.10 Å) Y–P bond lengths. There are a spread of Y–S bond distances ranging from 2.76–2.85 Å. P1- is bonded in a distorted hexagonal planar geometry to four Y3+ 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 Y3+ atoms. In the second S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted corner and edge-sharing SY5 trigonal bipyramids.},
doi = {10.17188/1666654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}