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Title: 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.

Publication Date:
Other Number(s):
mp-558990
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2017},
month = {5}
}