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Title: Materials Data on Sr2CuC(NO)2 by Materials Project

Abstract

Sr2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All Sr–N bond lengths are 2.93 Å. All Sr–O bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one C4+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1021672
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2CuC(NO)2; C-Cu-N-O-Sr
OSTI Identifier:
1354958
DOI:
https://doi.org/10.17188/1354958

Citation Formats

The Materials Project. Materials Data on Sr2CuC(NO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1354958.
The Materials Project. Materials Data on Sr2CuC(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1354958
The Materials Project. 2020. "Materials Data on Sr2CuC(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1354958. https://www.osti.gov/servlets/purl/1354958. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1354958,
title = {Materials Data on Sr2CuC(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All Sr–N bond lengths are 2.93 Å. All Sr–O bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one C4+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1354958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}