Materials Data on SbPOF8 by Materials Project
Abstract
SbPOF8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SbPOF8 clusters. Sb5+ is bonded to one O2- and five F1- atoms to form SbOF5 octahedra that share a cornercorner with one POF3 tetrahedra. The Sb–O bond length is 2.12 Å. There is three shorter (1.90 Å) and two longer (1.91 Å) Sb–F bond length. P5+ is bonded to one O2- and three F1- atoms to form POF3 tetrahedra that share a cornercorner with one SbOF5 octahedra. The corner-sharing octahedral tilt angles are 17°. The P–O bond length is 1.47 Å. There is two shorter (1.52 Å) and one longer (1.53 Å) P–F bond length. O2- is bonded in a 1-coordinate geometry to one Sb5+ and one P5+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560310
- 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; SbPOF8; F-O-P-Sb
- OSTI Identifier:
- 1271380
- DOI:
- https://doi.org/10.17188/1271380
Citation Formats
The Materials Project. Materials Data on SbPOF8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271380.
The Materials Project. Materials Data on SbPOF8 by Materials Project. United States. doi:https://doi.org/10.17188/1271380
The Materials Project. 2020.
"Materials Data on SbPOF8 by Materials Project". United States. doi:https://doi.org/10.17188/1271380. https://www.osti.gov/servlets/purl/1271380. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1271380,
title = {Materials Data on SbPOF8 by Materials Project},
author = {The Materials Project},
abstractNote = {SbPOF8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SbPOF8 clusters. Sb5+ is bonded to one O2- and five F1- atoms to form SbOF5 octahedra that share a cornercorner with one POF3 tetrahedra. The Sb–O bond length is 2.12 Å. There is three shorter (1.90 Å) and two longer (1.91 Å) Sb–F bond length. P5+ is bonded to one O2- and three F1- atoms to form POF3 tetrahedra that share a cornercorner with one SbOF5 octahedra. The corner-sharing octahedral tilt angles are 17°. The P–O bond length is 1.47 Å. There is two shorter (1.52 Å) and one longer (1.53 Å) P–F bond length. O2- is bonded in a 1-coordinate geometry to one Sb5+ and one P5+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1271380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}