U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsSm(WO4)2 by Materials Project
Abstract
CsSm(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.52 Å. Sm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.89 Å. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.84–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, two equivalent Sm3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Sm3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sm3+, and one W6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213147
- 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; CsSm(WO4)2; Cs-O-Sm-W
- OSTI Identifier:
- 1707575
- DOI:
- https://doi.org/10.17188/1707575
Citation Formats
The Materials Project. Materials Data on CsSm(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707575.
The Materials Project. Materials Data on CsSm(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1707575
The Materials Project. 2020.
"Materials Data on CsSm(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1707575. https://www.osti.gov/servlets/purl/1707575. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1707575,
title = {Materials Data on CsSm(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSm(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.52 Å. Sm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.89 Å. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.84–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, two equivalent Sm3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Sm3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sm3+, and one W6+ atom.},
doi = {10.17188/1707575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}