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Title: Materials Data on Sr2CaSbO6 by Materials Project

Abstract

Sr2CaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Ca–O bond distances ranging from 2.31–2.33 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom. In the second O site, O is bonded to two equivalent Sr, one Ca, and one Sb atom to form distorted corner-sharing OSr2CaSb tetrahedra. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom.

Publication Date:
Other Number(s):
mp-1208881
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; Sr2CaSbO6; Ca-O-Sb-Sr
OSTI Identifier:
1652666
DOI:
https://doi.org/10.17188/1652666

Citation Formats

The Materials Project. Materials Data on Sr2CaSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652666.
The Materials Project. Materials Data on Sr2CaSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1652666
The Materials Project. 2020. "Materials Data on Sr2CaSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1652666. https://www.osti.gov/servlets/purl/1652666. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652666,
title = {Materials Data on Sr2CaSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Ca–O bond distances ranging from 2.31–2.33 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom. In the second O site, O is bonded to two equivalent Sr, one Ca, and one Sb atom to form distorted corner-sharing OSr2CaSb tetrahedra. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom.},
doi = {10.17188/1652666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}