DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SbP(OF3)2 by Materials Project

Abstract

SbP(OF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one SbP(OF3)2 cluster. Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share corners with two equivalent PO2F2 tetrahedra. Both Sb–O bond lengths are 2.06 Å. There is three shorter (1.89 Å) and one longer (1.91 Å) Sb–F bond length. P5+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share corners with two equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. There is one shorter (1.53 Å) and one longer (1.54 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+more » atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ 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.« less

Authors:
Publication Date:
Other Number(s):
mp-554701
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; SbP(OF3)2; F-O-P-Sb
OSTI Identifier:
1268043
DOI:
https://doi.org/10.17188/1268043

Citation Formats

The Materials Project. Materials Data on SbP(OF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268043.
The Materials Project. Materials Data on SbP(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268043
The Materials Project. 2020. "Materials Data on SbP(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268043. https://www.osti.gov/servlets/purl/1268043. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268043,
title = {Materials Data on SbP(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SbP(OF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one SbP(OF3)2 cluster. Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share corners with two equivalent PO2F2 tetrahedra. Both Sb–O bond lengths are 2.06 Å. There is three shorter (1.89 Å) and one longer (1.91 Å) Sb–F bond length. P5+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share corners with two equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. There is one shorter (1.53 Å) and one longer (1.54 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ 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.},
doi = {10.17188/1268043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}