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Title: Materials Data on Sr3CdO4 by Materials Project

Abstract

Sr3CdO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.55 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with twelve equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Sr2+more » and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Sr bond lengths are 2.55 Å. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1316306
Report Number(s):
mp-981103
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Sr3CdO4; Cd-O-Sr

Citation Formats

The Materials Project. Materials Data on Sr3CdO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316306.
The Materials Project. Materials Data on Sr3CdO4 by Materials Project. United States. https://doi.org/10.17188/1316306
The Materials Project. 2020. "Materials Data on Sr3CdO4 by Materials Project". United States. https://doi.org/10.17188/1316306. https://www.osti.gov/servlets/purl/1316306.
@article{osti_1316306,
title = {Materials Data on Sr3CdO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3CdO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.55 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with twelve equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Sr bond lengths are 2.55 Å. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316306},
url = {https://www.osti.gov/biblio/1316306}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}