Materials Data on KSb(PO4)2 by Materials Project
Abstract
KSbP2O8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.99 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Sb–O bond lengths are 1.99 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (1.49 Å) and three longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-554155
- 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; KSb(PO4)2; K-O-P-Sb
- OSTI Identifier:
- 1267769
- DOI:
- https://doi.org/10.17188/1267769
Citation Formats
The Materials Project. Materials Data on KSb(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267769.
The Materials Project. Materials Data on KSb(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1267769
The Materials Project. 2020.
"Materials Data on KSb(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1267769. https://www.osti.gov/servlets/purl/1267769. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267769,
title = {Materials Data on KSb(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KSbP2O8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.99 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Sb–O bond lengths are 1.99 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (1.49 Å) and three longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom.},
doi = {10.17188/1267769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}