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Title: Materials Data on SrAlSi5N7O2 by Materials Project

Abstract

SrAlSi5O2N7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a distorted water-like geometry to one N3- and one O2- atom. The Sr–N bond length is 2.53 Å. The Sr–O bond length is 2.65 Å. Al3+ is bonded to three N3- and one O2- atom to form AlN3O tetrahedra that share corners with seven SiN3O tetrahedra. There are a spread of Al–N bond distances ranging from 1.84–1.87 Å. The Al–O bond length is 1.79 Å. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with two equivalent AlN3O tetrahedra and corners with five SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.71–1.76 Å. The Si–O bond length is 1.65 Å. In the second Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There is one shorter (1.71 Å) and two longer (1.74 Å) Si–N bond length. The Si–O bond length is 1.63 Å. In the third Si4+ site, Si4+ ismore » bonded to four N3- atoms to form SiN4 tetrahedra that share corners with two equivalent AlN3O tetrahedra and corners with five SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.83 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.78 Å. In the fifth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.77 Å. The Si–O bond length is 1.66 Å. There are seven inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Al3+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Al3+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one Al3+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the seventh N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two Si4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Al3+, and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1218436
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; SrAlSi5N7O2; Al-N-O-Si-Sr
OSTI Identifier:
1732291
DOI:
https://doi.org/10.17188/1732291

Citation Formats

The Materials Project. Materials Data on SrAlSi5N7O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732291.
The Materials Project. Materials Data on SrAlSi5N7O2 by Materials Project. United States. doi:https://doi.org/10.17188/1732291
The Materials Project. 2020. "Materials Data on SrAlSi5N7O2 by Materials Project". United States. doi:https://doi.org/10.17188/1732291. https://www.osti.gov/servlets/purl/1732291. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732291,
title = {Materials Data on SrAlSi5N7O2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAlSi5O2N7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a distorted water-like geometry to one N3- and one O2- atom. The Sr–N bond length is 2.53 Å. The Sr–O bond length is 2.65 Å. Al3+ is bonded to three N3- and one O2- atom to form AlN3O tetrahedra that share corners with seven SiN3O tetrahedra. There are a spread of Al–N bond distances ranging from 1.84–1.87 Å. The Al–O bond length is 1.79 Å. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with two equivalent AlN3O tetrahedra and corners with five SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.71–1.76 Å. The Si–O bond length is 1.65 Å. In the second Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There is one shorter (1.71 Å) and two longer (1.74 Å) Si–N bond length. The Si–O bond length is 1.63 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with two equivalent AlN3O tetrahedra and corners with five SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.83 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.78 Å. In the fifth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share a cornercorner with one AlN3O tetrahedra and corners with six SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.77 Å. The Si–O bond length is 1.66 Å. There are seven inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Al3+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Al3+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one Al3+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the seventh N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two Si4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Al3+, and one Si4+ atom.},
doi = {10.17188/1732291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}