Materials Data on Cs2Sb2OF10 by Materials Project
Abstract
Cs2Sb2OF10 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.44 Å. Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 48°. The Sb–O bond length is 1.96 Å. There is four shorter (1.93 Å) and one longer (1.94 Å) Sb–F bond length. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and onemore »
- Publication Date:
- Other Number(s):
- mp-572332
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cs2Sb2OF10; Cs-F-O-Sb
- OSTI Identifier:
- 1276398
- DOI:
- 10.17188/1276398
Citation Formats
The Materials Project. Materials Data on Cs2Sb2OF10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276398.
The Materials Project. Materials Data on Cs2Sb2OF10 by Materials Project. United States. doi:10.17188/1276398.
The Materials Project. 2020.
"Materials Data on Cs2Sb2OF10 by Materials Project". United States. doi:10.17188/1276398. https://www.osti.gov/servlets/purl/1276398. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276398,
title = {Materials Data on Cs2Sb2OF10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Sb2OF10 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.44 Å. Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 48°. The Sb–O bond length is 1.96 Å. There is four shorter (1.93 Å) and one longer (1.94 Å) Sb–F bond length. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom.},
doi = {10.17188/1276398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}