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Title: Materials Data on La3Si6N11 by Materials Project

Abstract

La3Si6N11 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.52–2.89 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. All La–N bond lengths are 2.65 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.79 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one La3+ and three Si4+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two equivalent Si4+ atoms. In the third N3- site, N3- is bonded to two La3+ and two equivalent Si4+ atoms to formmore » a mixture of distorted corner and edge-sharing NLa2Si2 trigonal pyramids. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to three La3+ and two Si4+ atoms.« less

Publication Date:
Other Number(s):
mp-1019893
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; La3Si6N11; La-N-Si
OSTI Identifier:
1350588
DOI:
10.17188/1350588

Citation Formats

The Materials Project. Materials Data on La3Si6N11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350588.
The Materials Project. Materials Data on La3Si6N11 by Materials Project. United States. doi:10.17188/1350588.
The Materials Project. 2020. "Materials Data on La3Si6N11 by Materials Project". United States. doi:10.17188/1350588. https://www.osti.gov/servlets/purl/1350588. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1350588,
title = {Materials Data on La3Si6N11 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Si6N11 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.52–2.89 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. All La–N bond lengths are 2.65 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.79 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one La3+ and three Si4+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two equivalent Si4+ atoms. In the third N3- site, N3- is bonded to two La3+ and two equivalent Si4+ atoms to form a mixture of distorted corner and edge-sharing NLa2Si2 trigonal pyramids. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to three La3+ and two Si4+ atoms.},
doi = {10.17188/1350588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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