U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pm2MgS4 by Materials Project
Abstract
MgPm2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 trigonal pyramids that share corners with three equivalent PmS6 pentagonal pyramids and a faceface with one PmS6 pentagonal pyramid. There are a spread of Mg–S bond distances ranging from 2.33–2.43 Å. There are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pm–S bond distances ranging from 2.78–3.25 Å. In the second Pm3+ site, Pm3+ is bonded to six S2- atoms to form distorted PmS6 pentagonal pyramids that share corners with three equivalent MgS4 trigonal pyramids, edges with two equivalent PmS6 pentagonal pyramids, and a faceface with one MgS4 trigonal pyramid. There are a spread of Pm–S bond distances ranging from 2.67–2.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Pm3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Pm3+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1232331
- 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; Pm2MgS4; Mg-Pm-S
- OSTI Identifier:
- 1708021
- DOI:
- https://doi.org/10.17188/1708021
Citation Formats
The Materials Project. Materials Data on Pm2MgS4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708021.
The Materials Project. Materials Data on Pm2MgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1708021
The Materials Project. 2019.
"Materials Data on Pm2MgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1708021. https://www.osti.gov/servlets/purl/1708021. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1708021,
title = {Materials Data on Pm2MgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPm2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 trigonal pyramids that share corners with three equivalent PmS6 pentagonal pyramids and a faceface with one PmS6 pentagonal pyramid. There are a spread of Mg–S bond distances ranging from 2.33–2.43 Å. There are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pm–S bond distances ranging from 2.78–3.25 Å. In the second Pm3+ site, Pm3+ is bonded to six S2- atoms to form distorted PmS6 pentagonal pyramids that share corners with three equivalent MgS4 trigonal pyramids, edges with two equivalent PmS6 pentagonal pyramids, and a faceface with one MgS4 trigonal pyramid. There are a spread of Pm–S bond distances ranging from 2.67–2.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Pm3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Pm3+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Pm3+ atoms.},
doi = {10.17188/1708021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}