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Title: Materials Data on Sr(PO3)2 by Materials Project

Abstract

Sr(PO3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sr(PO3)2 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.76 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.49 Å) and two longer (1.50 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one P5+ atom. In the fifth O2-more » site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1106207
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; Sr(PO3)2; O-P-Sr
OSTI Identifier:
1699352
DOI:
https://doi.org/10.17188/1699352

Citation Formats

The Materials Project. Materials Data on Sr(PO3)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1699352.
The Materials Project. Materials Data on Sr(PO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1699352
The Materials Project. 2018. "Materials Data on Sr(PO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1699352. https://www.osti.gov/servlets/purl/1699352. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1699352,
title = {Materials Data on Sr(PO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(PO3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sr(PO3)2 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.76 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.49 Å) and two longer (1.50 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.},
doi = {10.17188/1699352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}