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Title: Materials Data on Sr2CaWO6 by Materials Project

Abstract

Sr2CaWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.92 Å) Sr–O bond lengths. 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 0–30°. There are two shorter (2.27 Å) and four longer (2.31 Å) Ca–O bond lengths. 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 0–30°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing OSr2CaW tetrahedra. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one W6+ atom.

Publication Date:
Other Number(s):
mp-1078671
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:
1751322
DOI:
https://doi.org/10.17188/1751322

Citation Formats

The Materials Project. Materials Data on Sr2CaWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751322.
The Materials Project. Materials Data on Sr2CaWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1751322
The Materials Project. 2020. "Materials Data on Sr2CaWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1751322. https://www.osti.gov/servlets/purl/1751322. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1751322,
title = {Materials Data on Sr2CaWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CaWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.92 Å) Sr–O bond lengths. 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 0–30°. There are two shorter (2.27 Å) and four longer (2.31 Å) Ca–O bond lengths. 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 0–30°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing OSr2CaW tetrahedra. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one W6+ atom.},
doi = {10.17188/1751322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}