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Title: Materials Data on Sr2CaWO6 by Materials Project

Abstract

Sr2CaWO6 crystallizes in the orthorhombic Pmmn 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 2.59–2.92 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ca–O bond distances ranging from 2.26–2.28 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of W–O bond distances ranging from 1.92–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ca2+, and one W6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4CaW octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+, one Ca2+, and onemore » W6+ atom.« less

Publication Date:
Other Number(s):
mp-18742
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; Sr2CaWO6; Ca-O-Sr-W
OSTI Identifier:
1193423
DOI:
https://doi.org/10.17188/1193423

Citation Formats

The Materials Project. Materials Data on Sr2CaWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193423.
The Materials Project. Materials Data on Sr2CaWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1193423
The Materials Project. 2020. "Materials Data on Sr2CaWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1193423. https://www.osti.gov/servlets/purl/1193423. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1193423,
title = {Materials Data on Sr2CaWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CaWO6 crystallizes in the orthorhombic Pmmn 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 2.59–2.92 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ca–O bond distances ranging from 2.26–2.28 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of W–O bond distances ranging from 1.92–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ca2+, and one W6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4CaW octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+, one Ca2+, and one W6+ atom.},
doi = {10.17188/1193423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}