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Title: Materials Data on Ba2CoAg2(SeO)2 by Materials Project

Abstract

Ba2CoAg2(SeO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ba–Se bond lengths are 3.36 Å. All Ba–O bond lengths are 2.80 Å. Co2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 2.09 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 2.78 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Co2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1078198
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; Ba2CoAg2(SeO)2; Ag-Ba-Co-O-Se
OSTI Identifier:
1729912
DOI:
https://doi.org/10.17188/1729912

Citation Formats

The Materials Project. Materials Data on Ba2CoAg2(SeO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729912.
The Materials Project. Materials Data on Ba2CoAg2(SeO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729912
The Materials Project. 2020. "Materials Data on Ba2CoAg2(SeO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729912. https://www.osti.gov/servlets/purl/1729912. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729912,
title = {Materials Data on Ba2CoAg2(SeO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2CoAg2(SeO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ba–Se bond lengths are 3.36 Å. All Ba–O bond lengths are 2.80 Å. Co2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 2.09 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 2.78 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Co2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1729912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}