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Title: Materials Data on Sr6In2NF by Materials Project

Abstract

Sr6In2NF is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent In, one N, and one F atom. All Sr–In bond lengths are 3.77 Å. The Sr–N bond length is 2.56 Å. The Sr–F bond length is 2.76 Å. In is bonded to twelve equivalent Sr atoms to form InSr12 cuboctahedra that share corners with twelve equivalent InSr12 cuboctahedra, faces with six equivalent InSr12 cuboctahedra, faces with four equivalent NSr6 octahedra, and faces with four equivalent FSr6 octahedra. N is bonded to six equivalent Sr atoms to form NSr6 octahedra that share corners with six equivalent FSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. F is bonded to six equivalent Sr atoms to form FSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-989402
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; Sr6In2NF; F-In-N-Sr
OSTI Identifier:
1316794
DOI:
https://doi.org/10.17188/1316794

Citation Formats

The Materials Project. Materials Data on Sr6In2NF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316794.
The Materials Project. Materials Data on Sr6In2NF by Materials Project. United States. doi:https://doi.org/10.17188/1316794
The Materials Project. 2020. "Materials Data on Sr6In2NF by Materials Project". United States. doi:https://doi.org/10.17188/1316794. https://www.osti.gov/servlets/purl/1316794. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316794,
title = {Materials Data on Sr6In2NF by Materials Project},
author = {The Materials Project},
abstractNote = {Sr6In2NF is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent In, one N, and one F atom. All Sr–In bond lengths are 3.77 Å. The Sr–N bond length is 2.56 Å. The Sr–F bond length is 2.76 Å. In is bonded to twelve equivalent Sr atoms to form InSr12 cuboctahedra that share corners with twelve equivalent InSr12 cuboctahedra, faces with six equivalent InSr12 cuboctahedra, faces with four equivalent NSr6 octahedra, and faces with four equivalent FSr6 octahedra. N is bonded to six equivalent Sr atoms to form NSr6 octahedra that share corners with six equivalent FSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. F is bonded to six equivalent Sr atoms to form FSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent InSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}