U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Sr(PO3)4 by Materials Project
Abstract
SrK2P4O12 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.37 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.56 Å) and four longer (2.71 Å) Sr–O bond lengths. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558990
- 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; K2Sr(PO3)4; K-O-P-Sr
- OSTI Identifier:
- 1270595
- DOI:
- https://doi.org/10.17188/1270595
Citation Formats
The Materials Project. Materials Data on K2Sr(PO3)4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1270595.
The Materials Project. Materials Data on K2Sr(PO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1270595
The Materials Project. 2017.
"Materials Data on K2Sr(PO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1270595. https://www.osti.gov/servlets/purl/1270595. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1270595,
title = {Materials Data on K2Sr(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrK2P4O12 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.37 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.56 Å) and four longer (2.71 Å) Sr–O bond lengths. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one P5+ atom.},
doi = {10.17188/1270595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}