U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3Si2ClO8 by Materials Project
Abstract
Sm3Si2O8Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Sm–O bond distances ranging from 2.30–2.71 Å. The Sm–Cl bond length is 2.99 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are four shorter (2.40 Å) and two longer (2.57 Å) Sm–O bond lengths. There are one shorter (2.85 Å) and one longer (2.97 Å) Sm–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-23622
- 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; Cl-O-Si-Sm; Sm3Si2ClO8; crystal structure
- OSTI Identifier:
- 1199623
- DOI:
- https://doi.org/10.17188/1199623
Citation Formats
Materials Data on Sm3Si2ClO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199623.
Materials Data on Sm3Si2ClO8 by Materials Project. United States. doi:https://doi.org/10.17188/1199623
2020.
"Materials Data on Sm3Si2ClO8 by Materials Project". United States. doi:https://doi.org/10.17188/1199623. https://www.osti.gov/servlets/purl/1199623. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1199623,
title = {Materials Data on Sm3Si2ClO8 by Materials Project},
abstractNote = {Sm3Si2O8Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Sm–O bond distances ranging from 2.30–2.71 Å. The Sm–Cl bond length is 2.99 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are four shorter (2.40 Å) and two longer (2.57 Å) Sm–O bond lengths. There are one shorter (2.85 Å) and one longer (2.97 Å) Sm–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Si4+ atom. Cl1- is bonded in a distorted square co-planar geometry to four Sm3+ atoms.},
doi = {10.17188/1199623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}