U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb(PO3)4 by Materials Project
Abstract
Sb(PO3)4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sb5+ is bonded to seven O2- atoms to form distorted SbO7 pentagonal bipyramids that share corners with seven PO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.13–2.40 Å. There are five inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.61 Å. In the second P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the third P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SbO7 pentagonal bipyramid and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.47–1.64 Å. In the fourth P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-26542
- 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; Sb(PO3)4; O-P-Sb
- OSTI Identifier:
- 1201191
- DOI:
- https://doi.org/10.17188/1201191
Citation Formats
The Materials Project. Materials Data on Sb(PO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201191.
The Materials Project. Materials Data on Sb(PO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1201191
The Materials Project. 2020.
"Materials Data on Sb(PO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1201191. https://www.osti.gov/servlets/purl/1201191. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1201191,
title = {Materials Data on Sb(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(PO3)4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sb5+ is bonded to seven O2- atoms to form distorted SbO7 pentagonal bipyramids that share corners with seven PO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.13–2.40 Å. There are five inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.61 Å. In the second P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the third P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SbO7 pentagonal bipyramid and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.47–1.64 Å. In the fourth P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two equivalent PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.60 Å) P–O bond length. In the fifth P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SbO7 pentagonal bipyramids and corners with two equivalent PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.59 Å) P–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one P+4.75+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one P+4.75+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one P+4.75+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P+4.75+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.75+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P+4.75+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P+4.75+ atom. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.75+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.75+ atoms.},
doi = {10.17188/1201191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}