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Title: Materials Data on Sr4In2N by Materials Project

Abstract

Sr4In2N crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a single-bond geometry to six equivalent In and one N atom. There are two shorter (3.54 Å) and four longer (3.74 Å) Sr–In bond lengths. The Sr–N bond length is 2.53 Å. In the second Sr site, Sr is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Sr–In bond lengths are 3.86 Å. Both Sr–N bond lengths are 2.64 Å. In is bonded to ten Sr and two equivalent In atoms to form distorted InSr10In2 cuboctahedra that share corners with eight equivalent InSr10In2 cuboctahedra, corners with two equivalent NSr6 octahedra, edges with four equivalent InSr10In2 cuboctahedra, faces with seven equivalent InSr10In2 cuboctahedra, and faces with four equivalent NSr6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both In–In bond lengths are 3.36 Å. N is bonded to six Sr atoms to form NSr6 octahedra that share corners with four equivalent InSr10In2 cuboctahedra, corners with four equivalent NSr6 octahedra, and faces with eight equivalent InSr10In2 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-19915
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; Sr4In2N; In-N-Sr
OSTI Identifier:
1195102
DOI:
https://doi.org/10.17188/1195102

Citation Formats

The Materials Project. Materials Data on Sr4In2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195102.
The Materials Project. Materials Data on Sr4In2N by Materials Project. United States. doi:https://doi.org/10.17188/1195102
The Materials Project. 2020. "Materials Data on Sr4In2N by Materials Project". United States. doi:https://doi.org/10.17188/1195102. https://www.osti.gov/servlets/purl/1195102. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195102,
title = {Materials Data on Sr4In2N by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4In2N crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a single-bond geometry to six equivalent In and one N atom. There are two shorter (3.54 Å) and four longer (3.74 Å) Sr–In bond lengths. The Sr–N bond length is 2.53 Å. In the second Sr site, Sr is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Sr–In bond lengths are 3.86 Å. Both Sr–N bond lengths are 2.64 Å. In is bonded to ten Sr and two equivalent In atoms to form distorted InSr10In2 cuboctahedra that share corners with eight equivalent InSr10In2 cuboctahedra, corners with two equivalent NSr6 octahedra, edges with four equivalent InSr10In2 cuboctahedra, faces with seven equivalent InSr10In2 cuboctahedra, and faces with four equivalent NSr6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both In–In bond lengths are 3.36 Å. N is bonded to six Sr atoms to form NSr6 octahedra that share corners with four equivalent InSr10In2 cuboctahedra, corners with four equivalent NSr6 octahedra, and faces with eight equivalent InSr10In2 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1195102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}