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Title: Materials Data on Sr2Cu(PO4)2 by Materials Project

Abstract

Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.95 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-10950
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; Sr2Cu(PO4)2; Cu-O-P-Sr
OSTI Identifier:
1187476
DOI:
https://doi.org/10.17188/1187476

Citation Formats

The Materials Project. Materials Data on Sr2Cu(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187476.
The Materials Project. Materials Data on Sr2Cu(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1187476
The Materials Project. 2020. "Materials Data on Sr2Cu(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1187476. https://www.osti.gov/servlets/purl/1187476. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187476,
title = {Materials Data on Sr2Cu(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.95 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.},
doi = {10.17188/1187476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}